NEWSROOM
2026April 6-17, 2026. Alex visits China for a lecture tour. He gives a honorary Xingda lecture at Peking University on "Adsorption, Structural, and Mechanical Properties of Metal-Organic Frameworks" and a seminar on "Soft Matter Modeling with Dissipative Particle Dynamics". He is hosted by Professors Sihai Yang and Shuang Yang, who is his former postdoc and currently a full professor at Peking University Chemistry department. Another invited seminar is at Shanghai Tech University, hosted by our long time collaborator Professor Osamu Terasaki. The topic is "Molecular Simulation of Flexible Nanoporous Crystals". In addition, Alex meets at Shenzhen with his former PhD student Dr. Kan Yang. One of the goals of this trip is to advertise our research at Rutgers and recruit prospective PhD students from this best Chinese Universities.
March 24, 2026. The Darsh Wasan Award Alex is selected for, which is the highest recognition in the colloid and interface science community. . The Award ceremony will take place at the 15th International Colloids Conference in June 7-10, in Sitges, Spain. This recognition reflects the strength of our research and contributes to the international visibility of Rutgers as a leading research institution.
February 10, 2026. Alex gives an overview lecture on "Dissipative Particle Dynamics Modeling of Soft Matter Systems" at the AstraZeneca meeting series "Predictive Science Network". This series brings together academics and industrial researchers with modeling and computational interests, primarily within the AstraZeneca Pharmaceutical Science and Development.
February 2, 2026. Alex gives a seminar at the Department of Chemical and Materials Engineering, New Jersey Institute of Technology, "Metal-Organic Frameworks: Uncovering Adsorption, Structural, and Mechanical Properties through Statistical Mechanics and Molecular Simulations".
January 1, 2026. Warmest New Year wishes to everybody! Be healthy, happy, successful in your studies and research, and enjoy life to the best! 2025 was another remarkable year for our group. Nick has been appointed a Teaching Assistant Professor after defending his PhD, for which he received the most prestigious 2025 AIChE Separations Division Graduate Student Research Award. His teaching was highly appreciated by students who named him once again the Best Professor. The group welcomed a new cohort of 5 Aresty students, who are being trained on molecular simulations of nanostructured materials mentored by Santo and Nick. Evan has made his first conference presentation at the Annual AICHE meeting. 7 papers have been published and 2 are currently in revisions. The citation index has increased to h=80 with 5247 new citations in one year. Alex and Santo completed their 3-year effort on writing a comprehensive monograph (~400 pages, 19 chapters) “Dissipative Particle Dynamics: Fundamentals and Applications in Soft Matter Science and Engineering” published by Academic Press/Elsevier. Alex has enjoyed his Spring semester sabbatical. He held visiting professorships at the University Grenoble-Alps in France and the Sapienza University in Rome, Italy, and presented invited and keynote talks at the international conferences in Germany, Morocco, Portugal, and Spain.
2025December 9, 2025. The group welcomes a new PhD student Yiwei Shao. Yiwei has received her BS and MS degrees from our department. She will be working on molecular simulations of fluid adsorption on MOFs with the main focus on the effects of water adsorption on mechanical, transport, and reactive properties. This work is supported by the NSF grant "Computationally guided design of novel metal-organic frameworks for enhanced proton conductivity and photocatalytic water splitting."
November 15, 2025. Academic Press has published our monograph Dissipative Particle Dynamics: Fundamentals and Applications in Soft Matter Science and Engineering. This book offers a comprehensive, up-to-date introduction to DPD theory, methodology, and applications across polymers, colloids, surfactants, biomembranes, and other soft matter systems. The presentation features a number of original DPD techniques and models developed in our group. Among them are the first attempts of DPD modeling of protein conformations, polymer translocation through nanopores, surfactant monolayers at water-air interface, proton hoping and conductivity in polyelectrolyte membranes, metal-polymer complexation, and interactions of nanoparticles with soft interfaces, like polymer brushes and lipid membranes. Designed for researchers and students in chemical engineering, materials science, physics, chemistry, and biomedicine, it brings together foundational concepts, advanced modeling approaches, and practical guidance for applying DPD to real-world problems.
October 8, 2025.The Nobel Prize was awarded to Kitagawa, Robson, and Yaghi for the discovery of metal-organic frameworks (MOFs). This recognition highlights the increasing fundamental importance and practical relevance of our own studies on MOF modeling and characterization. Over the years, our group has made pioneering contributions published in 17 papers in high-profile journals, several of which have been cited hundreds of times. Our current research focuses on molecular simulation studies of the mechanisms of gas adsorption and phase transformations in flexible MOF structures, as well as on developing advanced methods for pore structure characterization and computational models for particular applications. Our most recently received NSF grant supports the computationally guided design of novel MOF structures for enhanced proton conductivity and photocatalytic water splitting. Success of this work may lead to new advanced materials for hydrogen energetics.
October 3, 2025. Alex and Santo have made the revisions of the proofs of their monograph "Dissipative Particle Dynamics: Fundamentals and Applications in Soft Matter Science and Engineering" to be published by Elsevier by the end of this month. This multifaceted interdisciplinary monograph is written for industrial and academic researchers and students, who are interested in the diverse world of soft matter systems in engineering, physics, chemistry, biology, and medicine. The presentation includes a number of original DPD techniques and models developed in our group. Among them are the first attempts of DPD modeling of protein conformations, polymer translocation through nanopores, surfactant monolayers at water-air interface, proton hoping and conductivity in polyelectrolyte membranes, metal-polymer complexation, and interactions of nanoparticles with soft interfaces, like polymer brushes and lipid membranes. We are grateful to our collaborators and students, particularly to Dr. Aleksey Vishnyakov, who has pioneered the DPD studies in our group.
September 21, 2025. Our traditional Fall group retreat with group alumni and industrial collaborators, including Drs. Ravikovitch - ExxonMobil, Gor - NJIT, Landers – Apollodine, Cimino – NJIT, Dantas – Merk, Gallegari - Rutgers, Potanin – Colgate. The group retreat was an important event in the team building in the group and the continuation of working relations with former group members.
September 1, 2025. OCongratulations to Nick Corrente for his appoinment as a Teaching Assistant Prfessor in our deprtament!
August 22, 2025. New NSF grant award. This 3-year grant "Computationally guided design of novel metal-organic frameworks for enhanced proton conductivity and photocatalytic water splitting" is a part of an interdisciplinary international collaboration project with U. of Manchester (Lev Sarkisov and the experimental group of Martin Schröder) in partnership with Oak Ridge National Laboratory and IBM. The research focuses on novel metal–organic frameworks developed in Manchester with highly tuneable structures and chemistry, which show exceptional promise in applications such as water splitting and proton conductivity, which are critical for efficient producing, storing, and using hydrogen. The project combines theoretical modeling and molecular simulations (our group contribution), machine learning, and experimental techniques to better understand how the structure of these materials influences their function at the molecular level. We are looking for a capable PhD student who is interested in molecular dynamics and Monte Carlo simulations.
August 1, 2025. Continuing research collaboration with Colgate PalmOlive. A new research project is started on mesoscale modeling of mutual adsorption of surfactants and amino acids on charged surfaces, including model silica and dental biofilm.
July 1, 2025. Congratulations to Nick for winning the most prestigious 2025 AIChE Separations Division Graduate Student Research Award for Adsorption & Ion Exchange.
June 15-18, 14th International Colloids Conference in San Sebastian, Spain. Alex presents Invited keynote talk co-authored by Santo on "Interfacial Properties of Coronavirus Virions".
June 1, 2025. The group welcomes a new cohort of undergraduate Aresty students: Pal Mehta, Muh Noor, and Disha Khot from Chemical and Biochemical Engineering department., Varshaa Venkitesh from Physics, and Arnav Saxena for Computer Sciences.
May 24–June 14, 2025. Alex holds Visiting Professor appointment at Sapienza University, Rome, Italy, hosted by Prof. Alberto Giacomello. Seminar presentation "Metastability and Hysteretic Transitions in Nanoconfined Fluids" and discussions and with Giacomello’s group members resulted in establishing a new collaborative project on modeling studies of ZIF-8 structure transformation during water intrusion.
May 18-23, 2025. 15th International Conference on Fundamentals of Adsorption, Porto, Portugal. Alex presents Invited keynote talk co-authored by Shivam and Nick on "Revealing Mechanisms of Adsorption-Induced Deformation: from Contraction and Softening to Expansion and Hardening".
May 11-14, 2025. 2nd Mediterranean Conference on Porous Materials, Marrakesh, Morocco. As a Distinguished Speaker and Panelist, Alex presents a talk on Challenges and Advances in Adsorption Characterization of Metal-Organic Frameworks.
February 26-28, 2025. 36th German Zeolite Conference (DZT), Erlangen, Germany. Alex delivers Invited Plenary Talk "Coupling Adsorption and Mechanical Properties of Flexible Nanoporous Materials"
February 20 – April 19, 2025. Alex holds Visiting Professor appointment at the University at the University Grenoble-Alps in France hosted by Dr. Benoit Coasne. He presented 3 invited seminars in the Laboratory of the Interdisciplinary Physics, Institute Neel, and Institute Laue Langevin and had many discussions with the CNRS researchers, Coasne’s group members, and Prof. Espinoza of U.Texas, who also was on sabbatical leave in Grenoble. With Drs. Coasne and Dasgupta, Alex initiated a new collaborative project on molecular simulation studies on superlattice formation during adsorption on metal-organic frameworks.
January 18, 2025. Alex takes Spring semester sabbatical leave to concentrate on his research on statistical mechanics and molecular modeling of adsorption, transport and deformation of nanoporous materials. The travel plans include collaborative work with Dr. Benoit Coasne at the University Grenoble-Alps in France and Prof. Alberto Giacomello in the Sapienza University in Rome, Italy, invited presentations at the international conferences and research centers.
January 1, 2025. Warmest New Year wishes to everybody! Be healthy, happy and enjoy life! 2024 was another remarkable year for our group. Shivam and Nick have successfully defended their PhD dissertations and will enjoy their new carrier passes. They successfully converted dissertation results into 8 published papers, 2 of which have been selected for the journal covers, and made oral presentations at the Annual AIChE meeting and the International Workshop on Characterization of Porous Materials (CPM-9), where both also got best poster awards. The CPM-9 meeting with 144 participants from 18 countries was the highlight of our long-lasting contributions to the scientific community by facilitating, maintaining and expanding research collaborations.
2024December 18, 2024. Congratulations to Nick Corrente for the successful defense of his PhD dissertation "Coupling Structural, Adsorption, and Mechanical Properties of Nanoporous Carbons Using Advanced Molecular Simulation Methods". Nick graduates with 6 published and 3 submitted papers in high-profile journals. He has presented his research at different major conferences, including 11 oral presentations at 5 consecutive Annual AIChE meetings in 2020 - 2024, Fundamental of Adsorption conference in 2022, and CPM-9 International Workshop in 2024. His research was funded by an NSF grant, and NSF funded internship at ExxonMobil. Being an extraordinary student, Nick excelled in mentoring and teaching of undergraduate students, who consistently voted for his teaching awards. He is currently appointed a Teaching Instructor and has already taught 9 classes. Nick is exceptionally well-prepared for pursuing his further carrier at our department as a teaching faculty and continuing his research on computational modeling.
December 5, 2024. Our group with Microtrac/Bell organized a Workshop on Pore Structure Characterization for the Rutgers community and scientists from local industries. This is a part of our established research partnership with Microtrac Inc. located in Newton, PA, on developing advanced methods for adsorption characterization of nanoporous materials. Microtrac Inc, a part of Verder Scientific, is one of the major producers of adsorption equipment with the production facilities in Japan and scientific development lab in Germany.
October 27-31, 2024. Our group actively participates in the 2024 AIChE Annual Meeting, San Diego, California with Alex Neimark presenting an invited plenary talk on "Thermodynamics and Molecular Modeling of Adsorption Induced Deformation" in honor of Professor Mathias Thommes and chairing the session on Molecular Simulations of Adsorption, and oral talk by Nick Corrente "Coupling Adsorption and Mechanical Properties of Nanoporous Carbon Using 3D Molecular Models" co-authored by undergraduate students Elizabeth L. Hinks, Aastha Kasera, and Raleigh Gough, Peter I. Ravikovitch from ExxonMobil. Also, Alex gave 2 talks authored by Shivam Parashar "Modeling Adsorption Equilibrium in Flexible Kerogen Pores Using Hybrid Molecular Dynamics/Monte Carlo" and Raheem Abdallah "Pressure-Driven Water Intrusion and Extrusion in Hydrophobic Nanopores".
September 27, 2024. PBAST-9, Kuching, Malaysia. Alex presents an invited keynote lecture "Adsorption on Flexible Nanoporous Materials: Coupling Adsorption and Mechanical Properties".
August 18-22, 2024, ACS Fall 2024. Denver, Colorado. Santo presents our collaborative work with UC Riverside on "Dissipative Particle Dynamics Modeling of Phospholipid Monolayers at Air-Water Interfaces: Temperature-Dependent Two-Dimensional Phase Behavior and Elastic Properties" authored by Kolattukudy P. Santo, Monica Iepure, Yuanzhong Zhang, Younjin Min, and Alexander Neimark.
July 1, 2024. Congratulations to Nick Corrente for his appointments as a Teaching Instructor. He will be teaching undergraduate classes on thermodynamics, material and energy balances, and computational methods, while finishing his PhD dissertation.
June 21- 24, 2024. Alex Neimark presents an Invited Lecture "Mesocanonical Ensemble as a Rationale for Studies Metastability and Hysteretic Transitions in Confined Nanophase" at the CIMTEC Conference, Montecatini Terme, Italy.
June 21, 2024. Alex Neimark visits Sapienza University, Rome, Italy, and presents an Invited Seminar "Thermodynamics and Molecular Simulation of Adsorption-Induced Deformation of Nanoporous Materials" in the group of Professor Alberto Giacomello.
June 7, 2024. Congratulations to Shivam Parashar for completion of the PhD program and successful defense. Shivam has already published 4 full-scale first-author papers with another paper in revisions, and 2 manuscripts in preparations. He has presented his research at different major conferences, including oral presentations at 4 consecutive Annual AIChE meetings in 2020 - 2023, Fundamental of Adsorption conference in 2022, and CPM-9 International Workshop in 2024. His research was funded by an NSF grant, including internship at ExxonMobil. Shivam is exceptionally well-prepared for pursuing his further carrier as an expert in computational chemical engineering and starts his first job on June 17, 2024. We will cheer for Shivam and wish him all the best at our group retreat with our alumni and collaborators after his defense.
May 24, 2024. Our group welcomes undergraduate students Evan Schley and Andrew Xie, the winners of the Aresty fellowship competition.
May 24, 2024. Our group (Alex, Shivam, Nick, and Eva) visits the Microtrac company in Newton, PA, for discussions on research collaborations on developing advanced methods for adsorption characterization of nanoporous materials. Microtrac, a part of Verder Scientific, is one of the major producers of adsorption equipment with the production facilities in Japan and scientific development lab in Germany.
May 19-23, 2024. Full success of the 9th International Workshop "Characterization of Porous Materials", CPM-9, in Delray Beach, FL, organized by our CBE department and Rutgers Continuing Education Services with Alex Neimark as the Chair and Nick Corrente as the Conference Secretary. Alex has established the CPM series of meetings in 1998 and served as the chair for already 9 CPM editions held on a tri-annual basis. Designed to serve a bridge between academic and industrial scientists, CMP meetings have gained an international reputation for their high-quality interdisciplinary program, interactive style of presentations, and vivid discussions. CPM-9 attracted 144 participants from 18 countries. CPM-9 was supported by an NSF travel grant and our local industrial sponsor Anton Paar QuantaTec. For more info see https://cpm9.rutgers.edu/.
May 19-23, 2024. Our group PhD students feature at the CPM-9 International Workshop, in Delray Beach, FL, with 2 oral papers and 5 posters presented by Shivam Parashar, Nick Corrente, and Raheem Abdulla. Their works attracted a lot of attention of the meeting participants. Congratulations to Nick and Shivam for well-deserved best poster awards. It was the first occasion for Raheem to discuss his research at a reputable international conference.
May 12, 2024. Congratulations to Nick Corrente for his exceptional teaching praised by our undergraduates by voting as the Best Professor for the second year! Starting the Fall 24’ semester, Nick will assume a full-time teaching instructor position at departments and continue to work on the completion of his PhD decertation.
April 11, 2024. Congratulations to Nick for a new published paper "Deformation of Nanoporous Carbons Induced by Multicomponent Adsorption: Insight from the SAFT-DFT Model" that was selected for featuring on the front cover of the Journal of Physical Chemistry C. The paper is co-authored by undergraduate students Lizy Hinks and Aastha Kasera mentored by Nick.
April 10, 2024. Alex presents an Invited Seminar at the Chemical Engineering department of the University of Buffalo on "Adsorption-Induced Deformation of Nanoporous Materials: from Human Hair to Breathing Solids".
March 4, 2024. The group welcomes Jakob Söllner, an exchange PhD student from University of Erlangen - Nurenberg, Germany, and a new Aresty Fellow Evan Schley. Jakob will work in the group for 2 months on modeling adsorption phenomena in pore networks.
February 6, 2024. Congratulations to Shivam for selection of his cover art associated with our just published paper Pore Structure Compartmentalization for Advanced Characterization of Metal-Organic Framework Materials, as the Front Cover for a respective issue of Journal of Chemical Information and Modeling.
January 9, 2024. The group welcomes Eva Iungbliudt, a newly admitted PhD student from Tomsk, Russia.
January 1, 2024. Warmest New Year wishes to everybody! Be healthy, happy and enjoy life! 2023 was a remarkable year for our group. Our publications have reached a new high in citations, with the Hirsh index climbing to h=76 and over 4,350 references in 2023 alone. Shivam and Nick's presentations at the AIChE meeting were outstanding, and the CPM-9 International Workshop we organized has received an overwhelming response. Nick's exceptional teaching earned CBE student awards praising him as the best teacher. We celebrated Lizy's and Aastha's admission to the country's top PhD programs at Stanford and Northeastern We cheered the arrival of new babies in the families of Silvio and Alison, and Santo and Jisa. Our research continued to thrive with the publication of six manuscripts, including our pioneering paper on the Covid project "Adsorption of Pulmonary and Exogenous Surfactants on SARS-CoV-2 Spike Protein". Santo’s work marks the beginning of an exciting new research direction on modeling interfacial interactions of coronavirus virions with potential therapeutic agents. Shivam has made significant progress in implementing the mesoscale ensemble MC gauge cell simulation method for studying phase transitions in Metal-Organic Frameworks. In collaboration with Nick, they're pioneering the Hybrid MD-MC simulation of flexible MOFs, Carbon, and Kerogen. Nick's work on modeling 3D molecular structures of advanced graphene morphologies promises to open new avenues in our research, with publications expected in 2024 and extended collaborations with experimental groups. Our ongoing collaborations and newly established partnerships with esteemed colleagues and institutions around the world have been a cornerstone of our success. We're grateful for the fruitful exchanges and projects with Peter Ravikovitch at ExxonMobil, Katsumi Kaneko at Shinshu University, Nando Vallejoos-Burgos at Morgan Research, PA, Matthias Thommes at Erlangen, Germany through exchange students Carola Schlamberger and Jakob Zollner, Piotr Kowalczyk at Monach U., Australia, Oskar Paris and his student Sebastian Stock at Leoben Austria, Gudrun Reichenauer at Wurtzburg, Germany, Hirotomo Nishihara at Tohoku U, Japan, Nicolas Espinoza at Austin TX, and Hunter King at Rutgers-Camden. We are also looking for new students joining our group in 2024
2023December 16, 2023. Congratulations Santo and Jisa on the birth of your son, Sam! Wishing your family endless joy and happiness for your beautiful new journey together.
November 28, 2023. Shivam Parashar and Nick Corrente present their work at the Rutgers CBE-GSO Fall Research Forum.
November 13-17, 2023. Our group actively participates in the 2023 AIChE Annual Meeting, Fenix, Arizona, with Alex Neimark chairing two sessions on Molecular Simulations of Adsorption, and oral talks by Nick Corrente with undergraduate students Elizabeth L. Hinks, Aastha Kasera, Raleigh Gough, Peter I. Ravikovitch, Alexander V. Neimark, Adsorption-Induced Deformation of Nanoporous Carbons with Mixtures: A Hybrid MC/MD Approach”2 talks by Shivam Parashar "Mesocanonical Ensemble Simulations to Model Adsorption Phase Transitions within Nanopores" and "Hybrid MD/MC Simulations of Adsorption on Flexible Nanoporous Materials", as well as a poster on collaborative work with ExxonMobil "Modeling Kerogen Flexibility upon Gas Adsorption Using Osmotic Ensemble Simulations."
October 13-25, 2023. During his trip to Japan, Alex Neimark presents an invited talk at the Symposium on Challenges for Carbon based Nanoporous Materials (7CBNM) in Nagano, and seminars at the Tohoku University, Sedai, and Kyoto University. New research collaborations were established with Prof. Hirotomo Nishihara, Tohoku University, and Prof. Satoshi Watanabe, Kyoto University.
August 29, 2023. Alex Neimark visits Friedrich-Alexander University Erlangen-Nürnberg, Germany, for continuing research collaborations with Prof. Matthias Thommes.
August 26, 2023. 9th International Workshop “Characterization of Porous Materials”, CPM-9, on May 19-22, 2024, in Delray Beach, Florida, is organized by our CBE department and Rutgers Continuing Education Services with Alex Neimark as the Chair and Nick Corrente as the Conference Secretary. Alex has established the CPM series of meetings in 1998 and served as the chair for already 8 CPM editions held on a tri-annual basis. Designed to serve a bridge between academics and industrial scientists, CMP meetings have gained an international reputation for their high-quality interdisciplinary program, interactive style of presentations, and vivid discussions. The previous CPM-8 attracted 139 participants from 21 countries. Follow CPM-9 on https://cpm9.rutgers.edu/.
August 25, 2023. A special group retreat to host Dr. Aleksey Vishnyakov, our former group member and long-time collaborator.
August 8, 2023. Ryan Jaworsky, REU student from Fairfield University, presents at the RISE Mini Symposium. Mentored by Santo, Ryan has been working on modeling Adsorption of Pulmonary Surfactants on SARS-CoV-2 Spike Protein using coarse grained molecular dynamics. His work is very successful: within a short period of 10 weeks he was able to produce a set of data that will be included in one of our future publications.
August 3, 2023. Aresty Fellow Ian Rosenheim presents his poster "Assessing the Hydrogen Storage Capacity of Metal Organic Frameworks" at the Aresty Symposium. Mentored by Nick, Ian performed instructive Monte Carlo simulations of hydrogen adsorption taking in account quantum effects. These feasibility studies can be extended to explore separation of hydrogen and deuterium on MOF adsorbents.
July 21, 2023. Our traditional summer group retreat with group alumni, and industrial collaborators including Drs. Rasmusen – Bolt Threads, San-Francisco, CA, Colon - Seres Therapeutics, Boston, MA, Gor - NJIT, Cimino – NJIT, Dantas – Merk, PA, Potanin – Colgate. The retreat was an important event in the team building in the group and the continuation of working relations with former group members.
June 24, 2023. Alex Neimark visits the Imperial College, London, UK, and presents an invited seminar at the Thomas Young Center on "Interactions of Coronavirus Virions as Biological Nanoparticles with Respiratory Environment: Insight from Multiscale Molecular Simulations".
June 21-23, 2023. Alex Neimark participates in CECAM Flagship Workshop "Fluids in Porous Materials: from Fundamental Physics to Engineering Application", in Lausanne, Switzerland, with an invited talk on “Mesocanonical Ensemble Monte Carlo (MCEMC) Simulations of Phase Transitions in Nanoconfined Fluids”.
June 15, 2023. Alex Neimark has been included in the 2023 Ranking of Best Scientists in Chemistry.
May 17, 2023. The group welcomes a new cohort of undergraduate REU and Aresty fellows, REU student from Fairfield University Ryan Jaworski, Summer Aresty Fellow Ian Rosenheim, Research Aresty Fellows Kaelyn Chang, Tijil Kiran, Suchit Kalluru, and Aditya Ningaiah. The students will be mentored by Santo, Shivam, Nick.
May 2, 2023. Tech Exchange Meeting at Colgate-Palmolive. Alex and Santo present an invited seminar on "Competitive Adsorption of Surfactants and Amino Acids on Dental Biofilms: Insight from Multiscale Molecular Simulations".
April 25, 2023. Congratulations to Nick Corrente for winning the Engineering Governing Council (EGC) Student’s Professor of the Year Award in the 2022-2023 academic year. Rutgers SOE students select every year one professor from each department who best exemplified the SOE mission of "Education, Research, and Service". This is a great achievement!
April 19, 2023. Lizy Hinks receives the 1st place award at the CBE Undergraduate Research Symposium for her poster "Modeling adsorption of simple fluids and hydrocarbons on nanoporous carbons". Congratulations to Lizy, her mentor Nick and her undergraduate peers Aastha and Raleigh!
April 15, 2023. Congratulations to Aastha and Lizy for accepting admission to the best Chemical Engineering PhD programs at Northwestern and Stanford. They serve as exceptional role models for undergraduate students pursing carriers in science and engineering. Under Nick’s mentorship, they have been contributing to our research group for three years, beginning as Aresty fellows. Their work on modeling hydrocarbon adsorption on nanoporous carbons has already yielded one published paper and three presentations at the major international and national conferences, Fundamentals of Adsorption in 2022 and AIChE annual meetings in 2021 and 2022.
March 29, 2023.Aastha Kasera receives the CBE Senior Researcher-Scholar Award that acknowledges her research accomplishments as Aresty fellows and James J. Slade Scholar.
Jan. 1, 2023. Warmest New Year wishes to everybody! Be healthy, happy and enjoy life! Special wishes of success and luck in their future endeavors to seniors and masters who graduate in 2023! Despite continuing pandemic challenges, our group achievements in 2022 are quite impressive. Santo was promoted to Assistant Research Professor, Shivam and Nick published excellent papers on the collaborative NSFprojects with ExxonMobil, presented oral talks at the major FOA and AIChE conferences, and made significant progress towards their next publications, Aastha and Lizy co-authored their first published paper and applied to PhD programs at the best graduate schools, Runcen performed a vast number of simulations on the Colgate project and graduates with the MS degree, Raleigh and Johnny excelled in complex simulations of adsorption, and Pooja and Ajay have acquired basis skills in modeling adsorption on complex kerogen structures. We have succeeded in acquiring a major NSF grant award on modeling surfactant adsorption on coronavirus virions, industrial projects with ExxonMobil, Colgate Palmolive, and research collaborative grant with the DEVCOM Chemical Biological Center. The publications of our group were cited more than 4,000 times in 2022 and the h-index increased to h=74.
Dec. 1, 2022. ColgatePalmolive amends our ongoing project "Adsorption of Surfactants and Amino Acids on Dental Biofilms" by additional $25,000 to extend the research program on coarse-grained simulations of personal care formulations
Nov. 13 -17, 2022. Our group actively participates in the 2022 AIChE Annual Meeting, Fenix, Arizona, with the invited plenary talk "Selective Adsorption of Surfactants on Coronavirus Virions" presented by Alex Neimark, and oral talks by Nick Corrente "Deformation of Nanoporous Carbons Induced By Multicomponent Adsorption: Insight from the SAFT-DFT Model" and Shivam Parashar "Machine Learning Approach for Construction of Fingerprint Kernels for Pore Structure Characterization in Metal-Organic Frameworks".
Nov. 7, 2022. Anton 2 supercomputer award to investigate interactions of coronaviruses with pulmonary surfactants. Alex Neimark and Kolattukudy Santo have received an award from the Pittsburgh Supercomputing Center (PSC) to study adsorption of pulmonary surfactants on Spike proteins of Covid-19 coronavirus variants by microseconds long molecular dynamics (MD) simulations on Anton 2 special-purpose supercomputer. Anton 2 is the next-generation specialized supercomputer generously made available by D.E. Shaw Research and hosted by PSC through Grant R01GM116961 from the National Institutes of Health. Highly competitive Anton 2 grants are awarded by a committee of the National Research Council (NRC) at the National Academies of Science. Anton 2 dramatically increases the speed of molecular dynamics (MD) simulations compared to available state-of-the-art systems and allows to investigate biological phenomena that due to their intrinsically long time and space scales have been outside the reach of even the most powerful general-purpose scientific computers. The proposed research aims to identify the molecular mechanisms of adsorption of the lung surfactant lipids, cholesterol, and proteins on the specific regions of S-protein receptor-binding domain (RBD) of the original CoV-2 and its Delta and Omicron variants. The results of this project will inform the clinical search for therapeutic surfactants capable of preventing and curing Covid-19 infections by obstructing the coronavirus binding with cell proteins.
Oct. 4, 2022. Alex Neimark and Kolattukudy Santo have signed with Elsevier a contract for writing the book "Dissipative Particle Dynamics: Fundamentals And Applications In Colloid And Interface Science". This monograph will comprehensively present the fundamentals of DPD theoretical formulations and computational strategies and provides a practical guidance for applications of DPD models to various colloidal and interfacial phenomena involving phase separations, self-assembly and transport in complex fluids, polymeric, surfactant, nanoparticle, and biological systems. In addition, the book contains instructive guidance on efficient implementation of the DPD models in open-source computational packages.
Oct 4, 2022. The prime journal in energy research "ACS Energy & Fuels" published Shivam Parashar’s paper in collaboration with Peter I. Ravikovitch of ExxonMobil on Molecular Modeling and Adsorption Characterization of Micro-Mesoporous Kerogen Nanostructures.
Sept 10, 2022. Welcome to a new cohort of the Aresty Research Fellows, Pooja Rana, Nikolai Styrkas, and Ajay Pate, who join the group in 22'-23' academic year.
Sept 8, 2022. Alex Neimark presents an Invited Talk "Mesocanonical Ensemble as a Rational to Study Fluctuations and Phase Transformations in Nanoconfined Fluids" at the Venice Meeting on Fluctuations in Small Complex Systems VI. Venice. Italy.
Sept.1, 2022. Congratulations to Kolattukudy Santo for his promotion to Research Assistant Professor.
July 31, 2022. NSF awards an INTERN supplement of $55,000 to our current NSF-CBET grant "Deformation of Poroelastic Nanoporous Materials of Hierarchical Structure upon Adsorption of Gas Mixtures" to support internship of Shivam Parashar at the ExxonMobil Technology and Engineering Company. During the proposed internship, Shivam will develop novel molecular 3-dimensional molecular models of micro-mesoporous fractions of shales for pore structure characterization and modeling hydrocarbon and carbon dioxide adsorption. This work is done under guidance of his industrial adviser Dr. Peter Ravikovitch
July 29, 2022. Congratulations to Aastha for her selection as a James J. Slade Scholar! The James J. Slade program in the Rutgers University School of Engineering is highly competitive and Aastha’s selection distinguishes her research accomplishments and hard work. As a James J. Slade Scholar, Aastha will continue to work in the group on modeling hydrocarbon adsorption on nanoporous carbons under Nick’s guidance.
July 21, 2022. New industrial research project of $50,000 is granted by Colgate-PalmOlive to study "Adsorption of Surfactants and Amino Acids on Dental Biofilms". This project is performed under the Master Services Agreement between Colgate-Palmolive Company and Rutgers. The goal is to explore using mesoscale molecular simulations the mechanisms of surfactant and amino acid adsorption on dental biofilms. The success of this project may inform the experimentalists in their search for health care formulations with improved properties.
June 24, 2022. First the end of the semester group retreat after pandemics with group alumni, and industrial collaborators, including Drs. Ravikovitch -ExxonMobil, Callegari – Rutgers; Gor - NJIT, Dantas – Merk, Potanin – Colgate. The retreat was an important event in the team building in the group and the continuation of working relations with former group members.
June 15, 2022. Keynote Invited Talk "Dissipative Particle Dynamics of Soft Matter Systems", 11th International Colloids Conference, Lisbon, Portugal.
June 1, 2022. A new grant project of $78,000 is awarded by the MSI STEM R&D Consortium for the "Development of Tailored Metal Organic Framework Designer Monte Carlo Kernels for Gas Adsorption Characterization". Within this project we will apply our new methodology of isotherm compartmentalization for evaluating the differences between the pore structure of practical samples and ideal crystals.
May 28, 2022. Welcome to Johnny Kelly, rising sophomore, who joins the group as a Summer Aresty Fellow. Johnny will work with Shivam on evaluating most suitable molecular models for simulation of water adsorption on MOFs.
May 27, 2022. Alex Neimark is elected on the Board of Directors of the International Adsorption Society (IAS).
May 22-27, 2022. 14th International Conference on the Fundamentals of Adsorption, Broomfield, Colorado. Our group features with 3 talks:
May 13, 2022. NJIT Molecular Simulations Workshop, NJIT, NJ. Our group actively participated with the Keynote Lecture "Coarse-Grained Simulations of Interactions of Nanoparticles with Soft Interfaces" by Alex Neimark, and presentations of Nick Corrente on modeling 3D molecular structures of nanoporous carbons and Shivam Parashar on characterization of complex nanoporous structure with hierarchical architecture.
May 1, 2022. Welcome Runcen Yin, MS student at CBE. Runcen joins the group to work on coarse-grained modeling of surfactant adsorption on biological substrates under the guidance of Dr. Santo.
His goal is to continue with PhD after successful completion of his MS dissertation and qualification exam.
March 11, 2022. New NSF grant award. Alex Neimark as the Principal investigator receives the 4-year award "Multiscale Modeling of Coronavirus Virions in the Respiratory System" with the budget of $500,000. For the first time, the methods of nanoscale interfacial engineering will be applied to study interactions of coronavirus virions with pulmonary and exogeneous surfactants that may inform ongoing clinical search for surfactant therapies.
This research has been initiated with Dr. Santo with the help of the NJACTS Pilot Grant "Development of Computational Models to Explore Interactions of Coronavirus Virions with Lung Surfactant Films" awarded in 2021. The aim of research is to study in detail and on a molecular level how SARS-CoV-2 and its variants adhere to the lung surfactant film, how the virus is capable of passing through the lipid membranes, and how surfactant molecules, either those that belong to the lung surfactant film or exogenous ones, affect this process. Atomistic and coarse-grained molecular dynamics simulations are applied to reveal the pathophysiological behavior of an entire coronavirus particle as it interacts with the lung surfactant layer. The potential to inform the search for novel therapeutic pathways that inhibit coronavirus activity by using exogenous surfactants endows the research with an interdisciplinary scope. Our computational efforts are leveraged by collaborations with Dr. Andrew Gow (EMSOP) and Dr. Jared Radbel (HWJMS) who provide clinical pulmonary expertise for the evaluation of the practical significance of the computational models and simulation data.
March 8, 2022. Alex Neimark presents a lecture "Adsorption Characterization of MOF Materials: Real Samples vs Ideal Crystals"
Alex Neimark presents a lecture "Adsorption Characterization of MOF Materials: Real Samples vs Ideal Crystals" at the International Adsorption Society Webinar Series.
January 1, 2022. Despite the pandemics restrictions and continuing challenges, our group made 2021 another year of great success:
December 14, 2021. The Journal of Physical Chemistry publishes a long-awaiting paper
"Interactions of polyelectrolyte gels with nonionic and ionic surfactants".
This paper summarizes the works of former MS student Runfang Mao and undergraduate Kimberly Kam mentored by Aleksey Vishnyakov and our Colgate-Palmolive collaborator Andrei Potanin.
November 8-10, 2021. AIChE Annual Meeting, Boston, MA. First in-person conference after pandemic pause. Our group is represented by four oral talks on the results of our NSF and ExxonMobil projects given by PhD students
- Shivam Parashar on “Revealing Specifics of Gas Adsorption in Metal-Organic Frameworks from Compartmentalization of Adsorption Isotherms“ co-authored by undergraduate student Skandan Venkatraman and Silvio Dantas and on “Molecular Modeling and Adsorption Characterization of Micro-Mesoporous Kerogen Nanostructures” co-authored by Peter Ravikovitch (ExxonMobil),
- Nick Corrente on “Deformation of Amorphous Nanoporous Carbons in the Process of Methane Displacement by Carbon Dioxide and Modeling Hydrocarbons Adsorption in Amorphous Nanoporous Carbonaceous Materials” and on “Modeling Hydrocarbons Adsorption in Amorphous Nanoporous Carbonaceous Materials” co-authored by undergraduate students Lizy Hinks and Aastha Kasera and Peter Ravikovitch (ExxonMobil).
October 27-28, 2021. During his sabbatical stay in Paris, Alex Neimark presents:
- Navier seminar on "Multiscale Nature of Poromechanics of Nanoporous Adsorbents" at Ecole des Ponts ParisTech, Champs-sur-Marne,
- invited seminar on "Mesoscale Modeling of Soft Matter Systems" at Chimie ParisTech/PSL.
October 18-22, 2021. Alex Neimark delivers a Plenary Lecture, "Thermodynamics of Adsorption Deformation of Microporous Carbons" and the Russian Conference "Physicochemical Problems of Adsorption, Structure and Surface Chemistry of Nanoporous Materials", Moscow, Russia. This conference is organized in honor of Academician M.M. Dubinin, the founder of the Russian school of adsorption and the head of the Department of Adsorption at the Russian Academy of Sciences, where Alex worked before his move to the US.
October 14, 2021. Santo Kolattukudy and Alex Neimark published a historical perspective "Dissipative Particle Dynamics Simulations in Colloid and Interface Science: A Review" in Advances in Colloid and Interface Science. This comprehensive review presents the progress in theoretical formulations, parametrization strategies, and applications of DPD for modeling complex colloidal and interfacial phenomena involving phase separations, self-assembly, and transport in polymeric, surfactant, nanoparticle, and biomolecules systems. Over the last 10 years, our group has made Over the last 10 years, our group has been actively involved in the development of novel methods for modeling soft matter systems within the DPD framework that resulted in 20 papers, 3 PhD and 3 MS dissertations.
October 7, 2021. Alex Neimark presents a lecture "Thermodynamics of Adsorption-Induced Deformation of Nanoporous Solids: Old Problem, Enigmatic Features, and Modern Applications" at the ATOMS virtual seminar organized by the Federal University of Rio de Janeiro (UFRJ), Brazil.
September 20, 2021. Alex Neimark starts his sabbatical at the l’Institut de Recherche de Chimie, Paris Sciences et Lettres University (PSL), to continue our longstanding collaborations with FX Coudert, Anne Boutin, and Alan Fuchs on modelling adsorption in nanoporous solids.
September 1, 2021. Congratulations to Raheem Abdallah for his full-time position at Merk after the successful completion of the MS program. Raheem will continue his research towards PhD dissertation as a part time PhD student.
August 28, 2021. NJ Alliance for Clinical and Translational Science (NJ ACTS) awards Alex Neimark a Pilot Project Grant ($50,000) to initiate research on the Development of Computational Models to Explore Interactions of Coronavirus Virions with Lung Surfactant Films. This work will be performed by Dr. Santo Kolattukudy with Dr Andrew Gow (EMSOP) and Dr. Jared Radbel (HWJMS) will provide clinical pulmonary expertise for the evaluation of the practical significance of the computational models and simulation data.
August 21, 2021. Congratulations to Nick Corrente for his first paper as a PhD student, Deformation of Nanoporous Materials in the Process of Binary Adsorption: Methane Displacement by Carbon Dioxide from Coal, published in the Journal of Physical Chemistry. This work is the first attempt to develop a thermodynamic theory of adsorbent deformation induced of adsorption of multicomponent mixtures.
August 20, 2021. Collaboration with Colgate-Palmolive resulted in the pioneering work published in Macromolecules, the leading journal in polymer science, Modeling of the Effects of Metal-Complexation on Morphology and Rheology of Xanthan Gum Polysaccharide Solutions coauthored by Santo Kolattukudy and Alex Neimark with CP scientists Drs. Fabijanic, Cheng, and Potanin. In this work, Santo built in the first coarse-grained DPD model of polysaccharides that can be adopted and applied to various pharma, personal care, cosmetic, and food applications.
June 16, 2021. Respore International Congress "Porous solids: Unity in Diversity", Paris. Alex Neimark presents Keynote Lecture "Advanced Characterization of Structural and Adsorption Properties of Metal-Organic Frameworks".
June 16, 2021. New NSF grant award. Alex Neimark as the Principal investigator receives the 3-year award for the "Interactions of Airborne Engineered Nanoparticles with Lung Surfactant Films" with the budget of $359,999. The project in collaboration with Professor Younjin Min, at the University of California, Riverside involves a synergistic combination of computational and experimental studies. This research activity is aimed at obtaining a better fundamental understanding on the molecular interactions arising between surfactant films and potentially hazardous engineered nanoparticles in realistically imitated physiological conditions. Fundamental knowledge gained through this project will provide new insights into the subsequent retention, translocation, and clearance of inhaled nanoparticles and the sequential processes associated with engineered nanoparticle toxicity overall.
June 6, 2021. NSF awards the 2nd INTERN supplement of $55,000 to support internship of Nick Corrente at the ExxonMobil Research and Engineering Company Corporate Strategic Research Division. During the internship, Nick is developing and adapting for practical applications the molecular simulation models of 3D disordered nanocarbon structures for modeling hydrocarbon adsorption and pore structure characterization. This work is done under guidance of his industrial adviser Dr. Peter Ravikovitch.
May 23, 2021. Welcome to Aparna Jayakumar, REU summer intern from Rice University. Aparna will work under mentorship of Nick Corrente to Monte Carlo simulation of phase transformations in adsorbed nanophases.
May 13, 2021. Congratulations to Shivam Parashar with his first paper "Compartmentalization of Adsorption Isotherms Reveals the Specifics of Guest-Host Interactions in Metal Organic Frameworks: Monte Carlo Simulation of Ar, N2, and CO2 adsorption on PCN-224 and ZIF-443" published in ACS Applied Nano Materials.
March 26, 2021. Alex Neimark gives the Morgan Advanced Materials Lecture, "Recent Advances in Characterization of Structural and Adsorption Properties of Nanoporous Carbons", at PennState.
February 1, 2021. Research collaboration with ExxonMobil. New research project "Advanced Methods for Pore Structure Characterization and Adsorption in Geological Materials" focuses on developing 3D structural models of disordered micro-mesoporous structures of geosorbents, like kerogen, and their use for predicting adsorption and morphological properties.
January 29, 2021. Congratulations to Silvio Dantas for successful defense of his PhD dissertation "Advancing Gas Adsorption Characterization of Nanoporous Materials Using Molecular Simulations". After graduation, Silvio will pursue his further carrier at MERK as a senior scientist.
December 22, 2020. Despite all the challenges imposed by the pandemic, our group made 2020 another successful year with 12 papers published in the high-profile journals: ACS NANO, ACS Applied Materials & Interfaces, Journal of Membrane Science, Carbon, Journal of Colloid and Interface Science, Journal of Physical Chemistry, Langmuir, and Colloids and Surfaces. In addition, one patent was awarded, and one patent submitted. As of today, our works in 2020 were sited 3,612 times exceeding the last year record of 2,855 and pushing the total number of citations to 24,425. The Hirsh citation number increased to h-index=69. Sean and Jonathan published the last papers summarizing the results of their PhD dissertations. The findings from Parva’s MS dissertation featured in ACS NANO, the highest impact index journal in nanotechnology. Silvio published two papers which constitute the core of his PhD dissertation that is planned for defense in January 2021. Papers of Xinyang and Philip concluded their internships in the group and enrich their PhD portfolios. Santo contributed with his guidance into the works of Sean, Parva, and Xinyang. Shivam and Nick made a great progress in their PhD projects, presented at the AIChE annual meeting, won best poster awards at the IAS competition, and we look forward to their publications making highlights of 2021.
December 11, 2020. Congratulations to Shivam and Nick for winning the best poster awards at the inaugural International Adsorption Society Twitter Poster Conference. The award bears the certificate and the 100 USD prize.
November 20-23, 2020. Three papers published within three days. Congratulations to Xinyang, Silvio and Parva! Parva Patel, Kolattukudy P. Santo, Sean Burgess, Aleksey Vishnyakov, and Alexander V. Neimark, - Stability of Lipid Coatings of Nanoparticle Decorated Surfaces, - 2020, ACS Nano, DOI: 10.1021/acsnano.0c07298. Silvio Dantas, Katie Cychosz, Matthias Thommes, and Alexander V. Neimark, - Pore size characterization of micro-mesoporous carbons using CO2 adsorption, - Carbons, 2021, V.173, P.842-848. DOI: 10.1016/j.carbon.202011.059. Xinyang Wang, Kolattukudy P. Santo, and Alexander V. Neimark, - Modeling Gas-Liquid Interfaces by Dissipative Particle Dynamics: Adsorption and Surface Tension of Cetyl Trimethyl Ammonium Bromide at Air-Water Interface, - Langmuir, 2020, V.36, 14686-14698. DOI: 10.1021/acs.langmuir.0c02572.
November 16, 2020. AIChE Annual Meeting, San-Francisco, CA. Our group is represented by two oral talks given in a virtual format by Shivam Parashar "Pore Level Decomposition of Adsorption Isotherm in Metal-Organic Frameworks", and Nick Corrente "Deformation of Nanoporous Materials in the Process of Binary Adsorption: Methane Displacement by Carbon Dioxide from Microporous Carbons".
November 11, 2020. Alex Neimark presents a seminar "Morphology, Rheology, and Transport Properties of Surfactant and Polymeric Solutions: Insight from Dissipative Particle Dynamics Simulations" at International Flavors and Fragrance (IFF) company with an overview of our group works on DPD simulations of complex fluids. Our 10 years of experience in DPD modeling resulted in 3 PhD dissertations, 3 MS dissertations, and 20 papers in high-profile journals.
September 1, 2020. Welcome to Aresty research students Lizy Hinks and Aastha Kasera, CBE juniors and Girish Ganesan, CS junior. Lizy and Aastha are mentored by Nick on Monte Carlo simulation of hydrocarbon sorption on carbons. Girish is mentored by Shivam on computational modeling of nanoporous materials.
August 18, 2020. Patent application 16/988,945 "Methods for Detection of the Permeation of Chemical Warfare Agents through Membranes" by George Tsilomelekis, Jonathan Colon Ortiz, and Alexander V. Neimark filed at the US Patent and Trademark Office. This patent results from the creative work of Jonathan in collaboration with Dr. Tsilomelekis on the development of a novel device for measuring permeability in polymeric membranes. The details of this research is published by Jonathan Colón-Ortiz, Pranav Ramesh, George Tsilomelekis, and Alexander V. Neimark, - Permeation Dynamics of Dimethyl Methylphosphonate through Polyelectrolyte Composite Membranes by in-situ Raman Spectroscopy, - Journal of Membrane Science, 2020, V. 595, 117462.
July 28, 2020. US patent No. 10,722,743 "Multicatalyst Polyelectrolyte Membranes and Materials and Methods Optimizing the Same" by Landers, J.; Neimark, A.V.; Asefa, T.; Vishnyakov, A.; Goswami, A.; Colon, J. is issued. This patent is based on the work of John Landers and Jonathan Colon in collaboration with Dr. Asefa on synthesis and characterization of novel type of protective membrane against chemical warfare agents. This research was supported by the Defense Threat Reduction Agency (DTRA) grant “Mass Transport, Kinetics, and Catalytic Activities of Multicatalyst Polyelectrolyte Membranes” directed by Alex Neimark. It is worth noting that this patent was filed May 15, 2015, and it took more then 5 years and 5 revisions to get it approved. The details of this research is published by John Landers, Jonathan Colon-Ortiz, Kenneth Zong, Anandarup Goswami, Tewordos Asefa, Aleksey Vishnyakov, Alexander V. Neimark, - In situ growth and characterization of metal oxide nanoparticles within polyelectrolyte membranes, - Angewandte Chemie International Edition, 2016, V.55, p.11522-11527.
July 30, 2020. NSF awards an INTERN supplement of $55,000 to our active grant "Collaborative Research: Deformation of poroelastic nanoporous materials of hierarchical structure upon adsorption of gas mixtures: theory, molecular modeling and experiments" to support internship of Nick Corrente at the ExxonMobil Research and Engineering Company Corporate Strategic Research Division. During the internship, Nick will develop and adapt for practical applications the molecular simulation models of binary adsorption on compliant disordered nanoporous adsorbents, compare and verify his in-silico models against the experimental data on the technology relevant materials. He will also learn the experimental techniques for adsorption analysis and pore structure characterization. Direct interactions with ExxonMobil researchers, in particularly with his industrial adviser Dr. Peter Ravikovitch, will provided Nick with invaluable first hands experience of work in the leading industrial research laboratory.
May 28, 2020. Welcome to Skandan Venkatraman, ECE junior, as an Aresty program student. Skandan will work with Shivam on modeling adsorption in MOFs.
March 11, 2020. The last group meeting in person prior to the transition to remote teaching and research due to the COVID 19 restrictions. We will maintain our weekly group meetings trough WebEx.
2019 is a record-breaking year for the group publications with 13 papers published in the leading journals with the Hirsh number increased to h-index=66. Congratulations to Jonathan, Silvio, Sean, Santo, Filip, Pranav, and Shiva for their published research accomplishments!
December 4-5, FlexMOF Symposium, Dresden, Germany. Alex Neimark presents an invited talk "Adsorption Stress as a Rational for Quantification of Host-Guest Mechanical Interactions in MOFs and Other Nanoporous Materials".
November 10-14. AIChE Annual Meeting, Orlando, FL, Filip Formalik presents a talk Adsorption-Induced Transformations in Flexible Microporous Frameworks Frameworks on the work done during his internship at Rutgers in collaboration with Professors Lucyna Firlej (Montpellier) and Bogdan Kuchta (Marseille).
October 14, 2019. Alex Neimark presents Claude R. Hocott Lecture in Petroleum Engineering, University of Texas in Austin.
September 15, 2019. . The group traditional barbecue retreat with alumni and collaborators. The current and former group members celebrated important carrier achievements of Chris Rasmussen (moves from DuPont to CA), Jonathan Colon (got an exciting offer from Celgene and moves to Boston), Rich Cimino (moves to NJIT), Sean Burgess (just defended, got a position at Genentech and moves to San Francisco), and Parva Patel (got an offer from Solaris Pharmaceutical as a research associate).
September 9-14, 2019. 1st International Gas Adsorption Summer School, Spetses, Greece. Alex Neimark presents tutorial lectures on Monte Carlo simulations and Density Functional Theory for a group of international students from Greece, France, Germany, UK, Japan, USA, and other countries.
September 5, 2019. Congratulations to Sean Burgess for the defense of his PhD dissertation "Molecular Modeling of nanoparticle Interactions with Soft Complex Interfaces"! Sean has already got an offer from Genetech in San Francisco.
September 3, 2019. Welcome to Nicolas Corrente, who joins the group as a PhD student. Nick comes from NJIT, where he worked with our group alumni Gennady Gor. Nick is interested in molecular simulations of nanoconfined fluids and mechanical properties of saturated porous materials.
July 13-28, 2019. Alex Neimark continues his Leverhulme Visiting Professorship and presents a series of seminars and lectures in University College London, Imperial College London, and Thomas Young Centre Soiree Lecture in Queen Mary University of London.
July 9, 2019. Alex Neimark visits his former colleagues in Moscow at the Laboratory of Adsorption at the Frumkin Institute of Physical Chemistry and Electrochemistry, Russian Academy of Sciences and presents a lecture on Deformation of Adsorbents.
July 1-5, 2019. Alex Neimark delivers a Plenary Lecture, "Adsorption Induced Deformation and Phase Transformations in Nanoporous Crystals", at the International Conference "Mechanisms and Non-Linear Problems of Nucleation and Growth of Crystals and Thin Films", in St. Petersburg, Russia.
May 30, 2019. Alex Neimark is inducted as a Fellow of the International Adsorption Society for his seminal contributions into the theory of adsorption and development of novel methods for pore structure characterization.
May 26-31, 13th International Conference on the Fundamentals of Adsorption, Cairns, Australia. In this major tri-annual event of the international adsorption community, our group is represented by the keynote lecture "Adsorption Induced Deformation of Hierarchical Micro-Mesoporous Materials" and tutorial lecture "Modern Advances on Pore Structure Characterization" given by Alex Neimark, poster "Unexpected features of adsorption isotherms and specifics of pore geometries of MOFs" presented by Silvio Dantas, and collaborative presentations given by Piotr Kowalczyk "Super-Sieving Effect in Phenol Adsorption from Aqueous Solutions on Nanoporous Carbon Beads", Matthias Thommes "Adsorption, Phase and Hysteresis Behaviour of CO2 in Ordered Nanoporous Carbons and Hierarchically Structured Mesoporous Zeolites: Experiment and Molecular Simulation, and Filip Formalik "Phonons as an Indicator of Adsorption-Induced Structural Transformation in MOFs".
May 15, 2019. Congratulations to Silvio Dantas for his first publication! The Journal of American Chemical Society, which is the top ranked journal in chemistry, the research communication Deciphering the Relations between Pore Structure and Adsorption Behavior in Metal-Organic Frameworks: Unexpected Lessons from Argon Adsorption on Copper-Benzene-1,3,5-tricarboxylate co-authored by Silvio Dantas, Lev Sarkisov, and Alexander V. Neimark. This work opens a new direction in pore structure characterization of metal-organic frameworks, the nanoporous materials, which are currently in the center of intense research in the materials science community.
April 16, 2019. The Journal of Physical Chemistry selects for the journal cover our paper "Critical Conditions of Adhesion and Separation of Functionalized Nanoparticles on Polymer Grafted Substrates" authored by Kolattukudy Santo, Aleksey Vishnyakov, Yefim Brun, and Alexander V. Neimark. This is a collaborative work with DuPont funded by the NSF GOALI grant.
April 12, 2019. Congratulations to Jonathan Colon-Ortis for successful defense of his PhD dissertation! His work "Synthesis and Characterization of Multi-Catalyst Polyelectrolyte Membranes as Protective Materials for the Decomposition of Chemical Warfare Agents" funded by the Defense Thread Reduction Agency resulted in two patent applications and five articles in high impact research journals.
April 12, 2019. Congratulations to Parva Patel for successful defense of his MS dissertation! In his work "Coarse-Grained Modeling of Interactions of Nanoparticles with Lipid Membranes", Parva employed the coarse-grained molecular dynamic simulations to study the mechanisms of nanoparticle coating by lipid bilayers. He showed that depending on their size and hydrophilicity, nanoparticles may either be engulfed or induce holes in the membranes. These findings help explain the experimental observations on stability of supported lipid bilayers.
March 6-22, 2019. Alex Neimark visits Japan as a Distinguished Visiting Professor at Shinshu University delivering lectures and seminars at the Shinshu University in Matsumoto, March 8, Waseda University in Tokyo, March 11, Kanazawa University, March 13, Shinshu University in Nagano (March 12 and 15). During this visit, Alex continues his collaboration with Professor Katsumi Kaneko that resulted in a paper "Thermally stable near UV-light transparent and conducting SWCNT/glass flexible films", published in Carbon.
Feb.4, 2019. Welcome to Filip Formalik, from Wroclaw University of Science and Technology, Poland, who visits our group as an intern PhD student in Spring and Fall semesters of 2019. Filip works on molecular simulation of adsorption deformation phenomena in metal-organic frameworks focusing on the effects of phonons. This is a collaborative research with Filip's advisers, Professors Bogdan Kuchta and Lucena Ferley, which already resulted in a review paper "Phonons in Deformable Microporous Crystalline Solids" published in the Zeitschrift fuer Kristallographie.
January 30, 2019. Congratulations to Sean Burgess and Silvio Dantas for defending their PhD dissertation proposals! Sean will continue to work as an intern at DuPont to combine his simulation work with experiments on nanoparticle separation of chromatographic columns. Silvio will concentrate on modeling adsorption in metal-organic framework for developing novel methods of pore structure characterization.
January 18, 2019. Welcome to Xinyang Wang form Northeastern University, Shenyang, China, who received a fellowship from the China Scholarship Council to work in our group for 15 months as an intern PhD student. Xinyang research on searching for novel biodegradable surfactants for ore flotation. She with learn and apply dissipative particle dynamics simulations to model surfactant-facilitated adhesion of inorganic particles to air bubbles.
Nov. 26, 2018. BSAF, Ludwigshafen, Germany. Alex Neimark gives an invited seminar on "Polyelectrolyte Membranes: from Multiscale Modeling of Self-Assembly and Transport to Fabrication of Multicatalyst Composites for Reactive Separations" and visit the Soft Matter Modeling group at BASF.
Oct. 28-Nov. 2, 2018. AIChE Annual Meeting, Pittsburg, PA. Our group is presented by:
Invited Plenary TalkSept. 20, 2018. Alex Neimark received a bridging grant "Molecular Design of Biomimetic Lipid Membranes and Liposomes" awarded by the 2018 Busch Biomedical Grant Program. The project will research interactions of functional nanoparticles with lipid bilayers with the goal of establishing the foundations for rational molecular design of functionalized liposome nanocapsules that are widely explored in nanomedicine as drug delivery vehicles and imaging agents and nanoparticle-doped supported lipid bilayers for biosensing. By using multiscale molecular simulations, we will elucidate the important features of nanoparticle-lipid interactions to address the following fundamental questions: 1) how to design functional nanoparticles, which could be incorporated into lipid bilayers to form stable nanocomposite membranes, 2) what are the mechanisms of membrane rapture due to nanoparticle adhesion, 3) how to facilitate selective transport through lipid membranes and controlled release from liposomes mediated by specially designed nanoparticles, 4) how to attach lipid bilayers to porous substrates to make robust perm-selective composites membranes.
Sept. 3-6, 2018. 8th Pacific Basin Conference on Adsorption Science and Technology (PBAST-8), Sapporo, Japan. Alex Neimark presents a talk on "Multiscale Nature of Adsorption Deformation of Hierarchical Micro-Mesoporous Materials".
Sept. 1, 2018. New grant award from NSF. Alex Neimark as the Principal investigator receives the 3-year grant award "Deformation of poroelastic nanoporous materials of hierarchical structure upon adsorption of gas mixtures: theory, molecular modeling and experiments". The project in collaboration with Nicolas Espinosa, Professor of Geosciences, at the University Texas Austin, focuses on the development of the theoretical foundations of the adsorption-induced deformation of nanoporous materials. Nowadays, it is one of the most topical problems in adsorption science with multiple practical applications in various nanotechnologies, as well as in carbon dioxide sequestration and oil recovery from shales. The main objective is to couple the Gibbs theory of excess adsorption with the Biot theory of poromechanics in non-isotropic and hierarchical (micro/meso/macro) materials. The project has an experimental counterpart that provides unique collaborative opportunities.
Sept. 1, 2018. NSF awards to Alex Neimark a special INTERN supplement grant to support internship of Sean Burgess at the DowDuPont Specialty Products Division, Science and Innovation Department. At DowDuPont, Sean will continue his simulation work on modeling adhesion and flow of nanoparticles within polymer brush grafted channels that is the core part of the Rutgers-DuPont GOALI project "Theoretical Foundations of Interaction Nanoparticle Chromatography". In addition, Sean will be trained in running the chromatographic experiments and performing separations of reference nanoparticles on specially designed columns to collect the data necessary for validating the simulation models. The success of this effort may lead to elucidating the specifics of the nanoparticle adhesion and flow and suggesting a novel approach to NP separations by surface chemistry.
August 14, 2018. Congratulations to Sean Burgess for his first publication! Journal of Physical Chemistry Letters published "Nanoparticle Engendered Rupture of Lipid Membrane" co-authored by Sean Burgess, Aleksey Vishnyakov, Christopher Tsovko, and Alexander V. Neimark.
July 30, 2018. Alex Neimark is named the Distinguished Visiting Professor at Shinshu University, Japan, and receives a CREST Award from the Japan Science and Technology Agency. This award is given to overseas researchers for contributions into Strategic Creation Research Project (CREST). During his visit to Japan, Alex will collaborate with Professor Katsumi Kaneko and give a lecture series on "Advanced Methods for Modeling and Characterization of Nanoporous Materials" at the Center for Energy and Environmental Science at Shinshu University.
May 20, 2018. Alex Neimark receives a Leverhulme Visiting Professorship award
award given by the Leverhulme Trust to prominent international scientists for lecturing and collaborative research in UK Universities. Alex is hosted by the University College London at the Center of Nature Inspired Engineering directed by Professor Marc-Olivier Coppens. The Leverhulme Lecture Series includes talks at:
May 18, 2018. Establishing collaboration with Russian scientists. The Russian Science Foundation awarded a 3-year grant to study the dynamics of interactions of fluids with lyophobic nanoporous materials to be performed at the Moscow Engineering Physics Institute (MEPhI) with Alex Neimark as the Principal Investigator responsible for the project research program. The grant will support a group of 9 scientists, including 5 students, at the MEPhI Department of Molecular Physics. The problem under investigation is extremely interesting - it is related to development of nanobumpers, energy storage devices, and actuators exploiting the process of forced intrusion of non-wetting fluid into nanopores. Although this topic has drawn recently a lot of attention in materials science community, the MEPhI group has the unique experience in original experimental studies and the outcome of this project may have a significant intellectual merit. MEPhI is one of the premier engineering schools in Russia with merit-selected students and a rigorous curriculum in STEM disciplines. This project may open new avenues for international collaborations and provide a source of well-qualified graduate students.
May 6-9, 2018. CPM-8 - the 8th International Workshop "Characterization of Porous Materials: from Angstroms to Millimeters" Delray Beach, Florida. The CPM Workshop Series was founded in 1997 by Alex Neimark to serve a bridge between academics and industrial scientists. With already 8 editions, the CPM Workshops have gained an international reputation for their high-quality interdisciplinary program, interactive style of presentations, and vivid discussions. With the participants representing 26 countries from five continents, CPM-8 has become one of the central international events in the subject area in 2018. CPM-8 is organized by Rutgers University with Alex Neimark as the Chair and sponsored by Quantachrome Instruments with Matthias Thommes as the Co-Chair. Silvio Dantas served as the conference secretary. Research from our group was presented by Silvio, Jonathan, and Santo. For more information, see http://cpm8.rutgers.edu/.
April 24-26, 2018. CECAM Workshop "Dissipative Particle Dynamics: Where do we stand on predictive applications?" Manchester, UK. Alex Neimark presents an Invited Lecture "DPD Modeling of Phase Segregation, Diffusion, and Conductivity in Polyelectrolyte Membranes".
January 30, 2018. Paper selected for Langmuir Journal Cover. Paper "Adhesion and Separation of Nanoparticles on Polymer-Grafted Porous Substrates" by Kolattukudy Santo, Aleksey Vishnyakov, Yefim Brun, and Alex Neimark presents the results of our NSF GOALI collaborative project with DuPont. In this work, we demonstrate using dissipative particle dynamics simulations that by varying solvent composition, it is possible to revert the sequence of elution from the size-exclusion and adsorption regimes and determine the critical conditions leading to this transition. This finding paves the way for the development of novel techniques for interaction nanoparticle chromatography, a desired tool for characterization and separation of nanoparticles based on their surface chemistry rather that by size.
January 15, 2018. Congratulations to Aleksey Vishnyakov for his appointment as Associate Professor at SkolTech – Skolkovo Institute of Science and Technology - the premier engineering university in Moscow, Russia.
November 14, 2017. Congratulations to Silvio Dantas for winning the best poster award at the 4th Annual Chemical and Biochemical Engineering Graduate Student Research Symposium.
November 1, 2017. AIChE Annual Meeting, Minneapolis, MN. Alex Neimark and Silvio Dantas present podium talks
October 19 – 21, 2017. Congratulation to Jonathan Colon for winning the 2017 SACNAS Student Presentation Award for his talk "Characterization of Polyelectrolyte Membranes Loaded with in¬-Situ Grown Metal--Oxide Nanoparticles for the Development of Wearable Technologies for the Protection Against Chemical Warfare Agents", delivered at the SACNAS National Diversity in STEM Conference in Salt Lake City, Utah. SACNAS is a society of scientists dedicated to fostering the success of Chicano/Hispanic and Native American scientists—from college students to professionals—to attain advanced degrees, careers, and positions of leadership in science. This conference gathered about 4000 participants and 300 exhibitors representing colleges and universities across the nation. The judges recognized Jonathan’s presentation as a standout among over 1000 student presentations and acknowledged that his communication skills and command of the research topic were exemplary.
October 16 – 20, 2017. Alex Neimark visits Beijing, China, with keynote talk "Thermodynamics and Transport in Self-Assembled Polyelectrolyte Membranes" at the 9th Sino-US Joint Conference of Chemical Engineering, and invited lectures at Beijing University of Chemical Technology, University of Chinese Academy of Science, Peking University, and the Soft Matter Center at Beihang University.
July 17, 2017. Leoben. Austria. Annual review meeting of the European project "DIANA" supported by the Austrian- and German Science Foundations. Within this project we collaborate on studies of Adsorption Deformation in Hierarchical Silica Materials with the groups of Oscar Paris, Mountain University, Leoben, Austrua, Gudrun Reichenauer, Bavarian Center for Applied Energy Research, Wuerzburg, Germany, and Nicola Hüsing, Paris Lodron University, Salzburg, Austria. Alex Neimark gives Invited Lecture "Adsorption Deformation from the Position of Poromechanics".
July 9-13, 2017. 6th Biot Conference on Poromechanics, Paris, France. Alex Neimark delivers Plenary Lecture "Reconciliation of Gibbs excess adsorption thermodynamics and poromechanics of nanoporous materials".
July 9-12, 2017. 91st ACS Colloids and Surface Science Symposium, New York. Santo Kolattukudy presents a talk "Adhesion and Separation of Nanoparticles on Polymer-Grafted Porous Substrates" co-authored by Aleksey Vishnyakov, Yefim Brun and Alexander V. Neimark. This collaborative work with DuPont is supported by the NSF GOALI program.
July 3-7, 2017. VII International Conference "Diffusion Fundamental", Moscow, Russia. Alex Neimark gives invited lecture "Multiscale Modeling of Water and Proton Diffusion in Self-Assembled Polymer Electrolyte Membrane", co-authored by Aleksey Vishnyakov and Ming-Tsung Lee.
May 14-17, 2017. 11th International Symposium on the Characterization of Porous Solids, Avignon, France. Alex Neimark presents a talk "Determination of Isosteric Heat by Quenched Solid Density Functional Theory" co-authored by Rich Cimino, Piotr Kowalczyk, and Peter Ravikovitch.
May 5, 2017. Alex Neimark visits University Pierre and Mary Curie, Paris, France, and gives a seminar on "Self-Assembly and Transport in Polyelectrolyte Membranes".
May 8-11, 2017. 9th International Conference on Porous Media, Rotterdam, The Netherlands. Alex Neimark gives Invited Talk at Minisymposium "Fluids in Nanoporous Media".
April 17-21, 2017. MRS Spring Meeting, Phoenix, Arizona. Alex Neimark presents an Invited Talk. "Self-Assembly and Transport in Polyelectrolyte Membranes", co-authored by Aleksey Vishnyakov and Ming-Tsung Lee, at the symposium "Computer-Based Modeling and Experiment for the Design of Soft Materials".
March 30, 2017. Alex Neimark gives an Invited Seminar "From Multiscale Modeling of Self-Assembly in Polyelectrolyte Membranes to Fabrication of Multicatalyst Composite Barriers", Department of Chemical and Biological Engineering, South Dakota School of Mines and Technology, Rapid City, South Dakota.
March 16, 2017. Congratulations to Dima Ruckodanov selected to the Amgen Scholars Program at UCLA. Out of nearly 700 applicants, he is one of only 20 students chosen to participate in this program.
December 5, 2016. Congratulations to Jonathan Colon for winning the 1st place in oral presentation section at the 43rd Annual Chemical and Biochemical Engineering Graduate Student Research Symposium.
November 13 – 18, 2016. AIChE Annual Meeting, San Francisco, CA. Our group features with a plenary talk Adsorption Stress in Nanopores by Alex Neimark and seven podium talks presented by John Landers, Rich Cimino, Jonathan Colon, and Gennady Gor: Adhesion and Translocation of Nanoparticles through Lipid Bilayers Studied By Mesoscale Simulations, Sean Burgess, Zhengjia Wang, Aleksey Vishnyakov and Alexander V. Neimark. Wet Spinning of Transition Metal Chalcogenide Fibers, John Landers, Parth Patel, Man Kwok, Alexander V. Neimark, Gordon G. Wallace, Tânia Benedetti, David Officer, and Geoffrey M. Spinks. Adsorption-Induced Deformation of Hierarchical Mesoporous Structures: Stresses Normal to the Pore Walls and Along the Pore Walls, Gennady Gor, Christian Balzer, Anna Waag, Noam Bernstein, Alexander V. Neimark, Nicola Hüsing, Oskar Paris, and Gudrun Reichenauer. Wearable Sensor Comprised of Nafion/Single-Walled Carbon Nanotubes/Metal Oxide Nanoparticles for the Detection of the Chemical Warfare Agent Simulant DMMP, John Landers, Joel Baptist, Dmitriy Ruckodanov, Kenneth Zong and Alexander V. Neimark. A Combined Theoretical and Experimental Investigation on the Degradation of Organophosphorus Chemical Warfare Agents on ZnO1-X, John Landers, Nicole Zougheib, Fuat E. Celik and Alexander V. Neimark. Characterization of Polyelectrolyte Membranes Loaded with in-Situ Grown Metal-Oxide Nanoparticles, Jonathan Colon, Sagar Y. Patel, John Landers, Aleksey Vishnyakov, and Alexander V. Neimark, AIChE Annual Meeting, San Francisco, CA, Nov. 13-8, 2016. Calculation of the Isosteric Heat of Adsorption Using Quenched Solid Density Functional Theory, Richard T. Cimino, Piotr Kowalczyk, Peter I. Ravikovitch, and Alexander V. Neimark, AIChE Annual Meeting, San Francisco, CA, Nov. 13-8, 2016.
September 5-7, 2016. Evora, Portugal. Alex Neimark invited to give Plenary Lecture "Adsorption Deformation of Nanoporous Materials: from Single Crystals to Hierarchical Structures" at the 40th Reunião Ibérica de Adsorção (RIA 2016).
June 17, 2016. Weinheim, Germany. Conference on Material Science and Technology: Today for Tomorrow. The conference honors Prof. Klaus Unger one the founders of the German school of porous materials.
June 15-16, 2016. Wuerzburg, Germany. Review meeting of the European project "DIANA" supported by the Austrian- and German Science Foundations. Within this project we collaborate on studies of Adsorption Deformation in Hierarchical Silica Materials with the groups of Oscar Paris, Mountain University, Leoben, Austrua, Gudrun Reichenauer, Bavarian Center For Applied Energy Research, Wuerzburg, Germany, and Nicola Hüsing, Paris Lodron University, Salzburg, Austria.
June 5-8, 2016. 90th ACS Colloid and Surface Science Symposium, Harvard University, Cambridge, MA. Sean Burgess presents his first talk at the national conference on "Adhesion and Translocation of Nanoparticles through Lipid Bilayers" co-authored by Zhenjia Wang, Aleksey Vishnyakov and Alexander V. Neimark.
May 29-June 3, 2016. Friedrichshafen, Germany. Alex Neimark co-chairs the
12th International Conference on Fundamentals of Adsorption (FOA12), the major scientific meeting of the adsorption community and gives a tutorial lecture on "Recent Advances in Statistical Thermodynamics and Molecular Simulation of Adsorption".
The FOA12 technical program features the results of the collaborative works with the European project "DIANA", DuPont, and Quantachrome:
May 23-28, 2016. Technical University, Berlin, Germany. Alex Neimark visits TUB Chemistry Department and presents an invited lecture at the Colloquium of the International Graduate Research Training Group.
April 14, 2016. Congratulations to David Wo for winning the 1st place in the CBE undergraduate poster competition. His work "Computer Simulation of Asphaltene Aggregate Molecules in Crude Oil" is mentored by Aleksey Vishnyakov.
April 6, 2016. ExxonMobil Research and Engineering Company, Annandale, NJ. Alex Neimark gives an Invited Seminar "Multiscale Modeling of Chain Molecules: from Self-Assembly in Surfactant Solutions to Grafted Surfaces to Polymer Chromatography" at the Corporate Research Center.
April 4, 2016. Board of Trustees Award for Excellence in Research. Alex Neimark has been selected to receive this distinguished award for the academic year 2015-2016. The award will be presented by the University President at a special reception on May 5, 2016.
March 2, 2016. Naval Research Laboratory, Washington, DC. Alex Neimark gives an Invited Seminar "Coarse-grained Modeling of Self-Assembly and Transport in Polyelectrolyte Membrane" at the Center for Computational Materials Science.
January 1, 2016. Welcome Dr. Somisetti Sambasivarao to join our group as a postdoctoral fellow. Samba, an expert in computational chemistry, will work on our DTRA projects on simulation of reactions on multicatalyst polyelectrolyte films.
December 15-20, 2015. International Chemical Congress of Pacific Basin Societies, Honolulu, Hawaii. Alex Neimark presents an invited talk "Solvation-Induced Self-Assembly of Polyelectrolyte Membranes" co-authored by Aleksey Vishnyakov and Ming-Tsung Lee.
December 22, 2015. Congratulations to Runfang Ma and Ting Li with successful defense of their MS dissertations!
Nov. 8 – 13, 2015. AIChE Annual Meeting, Salt Lake City, UT, features the
Honorary Plenary Session
on Adsorption and Ion Exchange for Alex Neimark. Our group presents the results of ongoing projects in six podium talks given by
Aleksey Vishnyakov, John Landers, Rich Cimino, Jonathan Colon, and Alex Neimark and four posters presented by undergraduate students Kenneth Zong, Parth Patel, Dima Ruckodanov, and Man Kwok:
November 12, 2015. Nature published a collaborative paper "Extra adsorption and adsorbate superlattice formation in metal-organic frameworks" with the groups of Osamu Terasaki and Omar Yaghi on the discovery of a novel mechanism of cooperative adsorption in mesoporous nanoscale confinements. This work opens up a new challenge for theoreticians interested in adsorption phenomena and confined nanophases.
November 1, 2015. Welcome Dr. Santo Poulose to join our group as a postdoctoral fellow. Santo, an expert in multiscale modeling, will work on our PRF-ACS and NSF projects on simulation of nanoparticle aggregation and separation.
October 22, 2015. International Symposium on GPC/SEC and Related techniques in Philadelphia. Alex Neimark gives a plenary talk “Critical Conditions of Polymer Chromatography on Nonporous Substrates” co-authored by Rich Cimino, Chris Rasmussen, and Yefim Brun.
October 12-15, 2015. Alex Neimark presents a keynote lecture at the 8th Sino-US Joint Conference of Chemical Engineering, Shanghai, China, on Thermodynamics of Deformation and Phase Transformations in Nanoporous Adsorbents and give a seminar at the East China University of Science and Technology.
October 1, 2015. NSF awards a travel grant of $15,000 to support US delegation at the 12th International Conference on Fundamentals of Adsorption (FOA12) to be held in Friedrichshafen, Germany, on 29 May – 3 June 2016. Grant is given to Alex Neimark as a Co-Chair of FOA12, which is the premier conference in the international adsorption community.
September 18, 2015. Alex Neimark gives a seminar at the Bishop Advanced Materials Colloquium Series, Clemson University.
August 27, 2015. Congratulations to Ming-Tsung Lee with successful defense of his PhD dissertation "Dissipative Particle Dynamics Simulations of Self-Assembly in Polymer and Surfactant Solutions". Ming-Tsung will join the University of Pennsylvania as a postdoctoral fellow.
August 16-20, 2015. ACS Fall National Meeting, Boston, MA. Alex Neimark presents an Invited Talk "Ghost Tweezers Method for Studies of Nanoparticle Interactions with Soft Interfaces", Jianli Cheng, Zhenjia Wang, Aleksey Vishnyakov, and Alexander V. Neimark.
June 21-24, 2015. 5th International Colloids Conference, Amsterdam. Showcase Talk. "Studies of Nanoparticle Adhesion to Soft Interfaces and Membranes by the Ghost Tweezers Method", Jianli Cheng, Zhenjia Wang, Aleksey Vishnyakov, and Alexander V. Neimark.
June 1, 2015. Alex Neimark appointed Mork Family Visiting Scholar at the Chemical Engineering Department at the University of Southern California.
May 24-28, 2015. 227th Annual Meeting of the Electrochemical Society, Chicago, Illinois, May 24-28. Alex Neimark presents an Invited Talk "Self-Assembly, Transport, and Thermodynamics in Nafion membranes: Insight from Dissipative Particle Dynamics Simulation", Aleksey Vishnyakov, Ming-Tsung Lee, and Alexander V. Neimark.
May 3-6, 2015. Join us at CPM-7
in Delray Beach, Florida. Chaired by Alex Neimark and Matthias Thommes, the 7th International Workshop of Characterization of Porous Materials (CPM-7)
is one of the major international events in the area of porous materials, see http://cpm7.rutgers.edu/.
This is the 7th meeting in the CPM tri-annual series organized by Rutgers University and sponsored by Quantachrome Instruments.
This year program includes over 140 papers presented by the researchers from 26 counties. Contributions from our group include one
oral and three poster papers:
April 26-30, 2015. II Latin American Congress of Adsorption, Cartagena de Indias, Colombia. Alex Neimark presents an Invited Lecture "Advances in the Density Functional Theory for Characterization of Porous Solids".
April 6, 2015. Congratulations to Saurin Rawal with successful defense of his MS dissertation "Single File Diffusion". Saurin will continue with his PhD studies at Louisiana State University.
March 16-18, 2015. Alex Neimark presents an Invited Lecture "Adsorption Deformation of Microporous Carbons" at the Fourth Symposium on Challenges for Carbon-based Nanoporous Materials: Adsorption and Energy, Nagano, Japan.
November 21, 2014. Alex Neimark is invited for a seminar at the Department of Chemistry, University of Georgia, Athens, GA with a talk on "Self-Assembly in Surfactant and Polymeric Systems: Insight from Dissipative Particle Dynamics Simulations".
November 17 – 21, 2014. Annual AIChE Meeting, Atlanta, GA.
Our group features with the results of ongoing projects in six podium talks and one poster presented by Aleksey Vishnyakov, Rich Cimino, Gennady Gor, and Ming-Tsung Lee.
November 5-6, 2014. Alex Neimark gives an invited lecture at the NIST/CCR workshop on "Measurement Needs in the Adsorption Sciences", Gaithersburg, MD.
October 27-31, 2014. International CECAM-COST Workshop "Friction and Interface Dynamics at Nano and Mesoscales", Tel-Aviv, Israel. Alex Neimark, as an invited speaker, presents a paper “Studies of Nanoparticle Adhesion to Soft Interfaces and Membranes by the Ghost Tweezers Method” co-authored by Jianli Cheng, Zhenjia Wang, and Aleksey Vishnyakov.
August 10-14, 2014. 48th ACS National Meeting, San Francisco, California. Alex Neimark presents a paper on "Dissipative Particle Dynamics Models of Self-Assembly in Surfactant, Polymeric, and Nanoparticle Systems" co-authored by Jianli Cheng, Ming-Tsung Lee, and Aleksey Vishnyakov.
August 8-9, 2014. Workshop "Characterization of Nanoporous Materials: Correlating Textural Properties to Applications in Gas and Energy Storage, Separation, and Catalysis", Stanford University. Alex Neimark presents an invited lecture "Quenched Solid Density Functional Theory of Adsorption on Heterogeneous Solids and Pore Structure Characterization".
June 1-July 15, 2014. Alex Neimark works as a Visiting Professor at ENSCP - Chimie ParisTech, Paris, France, in the group of Professor Alain Fuchs.
June 8-11, 2014. The 13th International Ceramics Congress, Montecatini Terme, Tuscany, Italy. Alex Neimark features with an invited talk at the Symposium "Porous Ceramics for Environmental Protection, Energy-related Technologies and Advanced Industrial Cycles".
May 11-14, 2014. Alex Neimark presents a plenary talk at the 10th International Symposium on the Characterization of Porous Solids (COPS-X), Granada, Spain.
May 7-9, 2014. CECAM workshop “Dissipative Particle Dynamics: Foundations to Applications”, Lausanne, Switzerland. Alex Neimark gives an invited lecture and Ming-Tsung Lee presents a poster on his recent attempts to model proton transfer on a mesoscale level.
Feb.5, 2014. New grant award from the Defense Thread Reduction Agency is given to Alex Neimark as the principal investigator. This award of $2,209,903 supports the multidisciplinary project "Mass Transport, Kinetics and Catalytic Activities of Multicatalyst Polyelectrolyte Membranes" that aims at developing a novel platform for self-detoxifying protective materials with superior properties. The project includes collaboration with Dr. Walter Zukas from the U.S. Army Natick Soldier Research, Development and Engineering Center (NSRDEC).
Jan.1, 2014. Alex Neimark has been appointed the Editor of the new Elsevier journal "Colloids and Interface Science Communications". This journal is designed as a flagship high-impact journal for urgent reports on novel findings in all areas of colloid and interface science. The particular emphasis is given to novel experimental techniques and theoretical/computational methods for advanced studies of interfacial interactions.
Nov. 3 – Nov.7, 2013, Annual AIChE Meeting, San-Francisco, CA. Our group is represented by an Invited Talk given by Alex Neimark in the Industrial Fluid Properties Simulation Challenge session, and 3 podium talks given by Aleksey Vishnyakov, Rich Cimino, and Ming-Tsung Lee.
Sept. 20, 2013. Alex Neimark gives an Invited Seminar “Self-Assembly and Transport in Soft Nanomaterials: Insight from DPD modeling” at the Physics Department at the University of Southern California, Los Angeles, CA.
Sept. 8, 2013. Americal Chemical Society Meeting, Indianapolis, IN. Aleksey Visnyakov present a talk on “DPD simulation of protein conformations” coauthored by Ming-Tsung Lee and Alex Neimark.
Sept. 3-6, 2013. International Porous and Powder Materials Symposium, PPM-2013, Izmir, Turkey. Alex Neimark features with an Invited talk “Adsorption induced deformation and phase transformations of microporous and mesoporous crystals” and receives a presentation trophy.
Aug.13, 2013. Royal Academy of Engineering (United Kingdom) has selected Alex Neimark as a Distinguished Visiting Fellow. Alex will assume this honorary position during his sabbatical stay at Imperial College London on Sept. 30 – Nov. 3, 2013.
Aug.12, 2013. NSF CBET grant "Adhesion and Translocation of Nanoparticles through Lipid Membranes” of $349,976 is awarded to Alex Neimark. This project aims at establishing quantitative structure-property relationships between nanoparticle size and degree of hydrophobicity and its ability to adhere to and penetrate through lipid membranes. Practical implications of this research include intracellular drug delivery using nanoparticle carriers, as well as physico-chemical mechanisms and structural factors affecting nanoparticle toxicity.
Aug. 10, 2013. Work of Ming-Tsung Lee, Aleksey Vishnyakov, and Alex Neimark, Calculations of Critical Micelle Concentration by Dissipative Particle Dynamics Simulations: the Role of Chain Rigidity , makes the cover of the Journal of Physical Chemistry.
July 10-12, 2013. 5th Biot Conference on Poromechanics, Vienna, Austria. Alex Neimark co-organizes a Symposium on “Microporous and mesoporous materials: adsorption and poromechanics”, where he presents a Keynote talk “Found in Translation: from Thermodynamics of Adsorption to Poromechanics of Nanostructure Solids”.
July 8-9, 2013. Workshop "Strains induced by phase changes in deformable porous solids", Ecole des Ponts ParisTech, France. Alex Neimark gives an Invited Lecture “Interplay of capillary and disjoining pressures during condensation-evaporation cycles in mesoporous solids”.
June 20-22, 2013. Alex Neimark presents an Invited Lecture “The affect of surface roughness on the structure and properties of confined fluids: quenched-solid density functional theory” at the CECAM workshop "New Perspectives in Liquid State Theories for Application to Complex Molecular Systems”, Paris, France.
June 5-7, 2013. Alex Neimark co-organizes with François-Xavier Coudert, Anne Boutin, and Alain H. Fuchs 2nd workshop on "Adsorption in Compliant Nanoporous Solids" in Paris, France.
May 19-24, 2013. 11th International Conference on the Fundamentals of Adsorption, Baltimore, MD. Our group research is presented in 4 papers, including 2 plenary talks given by Chris Rasmussen and Gennady Gor.
May 3, 2013. Alex Neimark visits the Federal University of Ceara, Fortaleza, Brazil, with an Invited Lecture “Deformation of Adsorbents”.
April 1, 2013. Alex Neimark gives an Invited Seminar at the Department of Chemical Engineering and Materials Science at the University of Southern California, Los Angeles, CA.
February 18-21, 2013. Alex Neimark gives a Invited lecture “Revisiting Percolation Models of Capillary Hysteresis” at the Giorgio Zgrablich” School on Adsorption, Adsorbents and their Applications, San Luis, Argentina.
Oct. 29 – Nov.1, 2012, Annual AIChE Meeting, Pittsburgh, PA. Our group is represented by an Invited Talk given by Alex Neimark in the Plenary Session honoring Professor Gino Baron, 6 podium talks given by Aleksey Vishnyakov (2), Rich Cimino, and Chris Rasmussen, and a poster presented by Ming-Tsung Lee.
Sept. 20, 2012 . Alex Neimark and John Landers awarded a US Patent “Bioactive Carbon Nanotube - Agarose Composites for Neural Engineering”. This discovery opens up new prospects in developing advanced implantable electrodes for neural stimulation and recording. It made in collaboration with Drs. Joachim Kohn and Dan Levitus from the Rutgers Center of Biomaterials.
Sept.1, 2012.
NSF DMR grant "Mesoscale modeling
of self-assembly and transport in polymer electrolyte membranes”
of $383,803 is
awarded to Alex Neimark.
The objective of this project is to design novel
molecular simulation tools capable of predicting structural and transport
properties of polyelectrolyte membranes (PEM). PEM is one of the critical and
most expensive components of the fuel cells, which play the central role in the
sustainable hydrogen-based energy technologies. The results of this research
will have a significant interdisciplinary impact, since it addresses currently
unresolved topical problems that are common across different self-assembly and
transport phenomena in synthetic and biological polyelectrolyte materials, and
it focuses on developing original modeling tools that can be further adapted
and modified for simulation and optimization of biomedical systems and
biomedical technologies, involving DNA, proteins, and physiological membranes.
August 27-31, 2012, 8th
International Symposium of Surface heterogeneity in Adsorption and Catalysis on
Solids, ISSHAC-8, Krakow, Poland
. Alex Neimark presents an Invited Talk “Scanning
Adsorption-Desorption Hysteresis’ co-authored by Richard Cimino, Katie A.
Cychosz, and Matthias Thommes.
August 1, 2012, Nagano,
Japan.
Alex Neimark gives an Invited Seminar at the Shinshu
University.
July 28 – August 1, 2012,
Hiroshima, Japan
. Alex Neimark presents a Keynote Lecture at
the
International
Symposium on Zeolites and Microporous Materials
(ZMPC-2012).
July 15, 2012.
DURIP grant of $99,924 from DoD
awarded to Alex Neimark and Aleksey Vishnyakov to establish a computer laboratory for
multi-scale simulations of novel nanomaterials.
June 22
,
2012.
Alex Neimark gives an Invited
Seminar at the
Ecole Normale Supérieure
, Paris, France
.
June 12, 2012, Chimie ParisTech,
Paris, France
. Alex Neimark presents
the
Blaise Pascal Lecture
.
May 14-17, 2012,
PEDOFRACT Workshop, La Coruna, Spain.
Alex Neimark presents a
Keynote lecture on
Percolation and
Fractal Models of Capillary Phenomena in Pore Networks.
May 6- 10, 2012, The 1st Ibero-American
Symposium on Adsorption (IBA-1), Recife, Brazil
, Alex Neimark presents an
Invited lecture on
Breathing Transitions
in MOFs
.
April 30-May 2, 2012
.
6th International Workshop "Characterization of Porous Materials:
from Angstroms to Millimeters"
organized by Alex Neimark and Matthias
Thommes in Delray Beach, Florida, was a success. With 158 participants from 24
countries CPM-6 is the largest international meeting in the area of porous
materials held in 2012. Our group was represented
by6
posterspresented by Aleksey Vishnyakov, John
Landers, Chris Rasmussen, Ming-Tsung Lee, and Rich Cimino.
April 26, 2012.
Alex Neimark is
elected a
Fellow of the
American Institute of Chemical Engineers
for his contribution in the development of
novel theoretical and simulation methods for modeling nanostructured and porous
materials.
March 26, 2012.Alex Neimark gives an Invited Seminar at the
Department of Chemistry, City College, CUNY, New York
.
Feb. 6-10, 2012. Nanopore
Conference, Puerto Calero, Spain
, Alex
Neimark presents an Invited lecture on
Modeling Adsorption and Translocation of Chain
Molecules in Nanopores
.
January 26, 2012.
Greg Heden
receives a
2012 AIChE award in Science
and Research
for his work with John Landers on novel conductive carbon
nanotube membranes.
October 17, 2011. Ecole
Normale Supérieure (ENS)
, the most prestigious University in France, selected Alex
Neimark for an honorable position of ENS Invited Professor. In this position,
Alex will continue collaborate with his French colleagues from ENS, Chimie
ParisTech, and CNRS on studies on adsorption-induced transformations in
metal-organic frameworks. He plans to
assume this position for the month of June, 2002.
Dec. 18-20, 2011. Alex
Neimark presents an Invited talk at the Statistical-Mechanical Conference, Rutgers, on
Breathing Crystals: Adsorption Deformation and Structural Transitions in
Metal-Organic Frameworks.
October 28, 2011.
Alex
Neimark gives an Invited Seminar at the Department of Chemistry,
Lomonosov
Moscow State University,
Moscow, Russia
,
October 26, 2011.
International
Conference on Modern Problems of Adsorption, Moscow, Russia.
Alex
Neimark resents an Invited lecture on Deformation of Micro- and Mesoporous
Adsorbents.
October 17-20, 2011.AIChE Meeting, Minneapolis
. Our
group is represented by a Plenary lecture given by Alex Neimark on Adsorption
Deformation in Porous Materials: from MMC to MOF, and 6 podium talks given by
Gennady Gor,
John Landers, Chris Rasmussen, and
Ming-Tsung Lee.
October 12, 2011.
Alex
Neimark gives an Invited Seminar at
Princeton University.
September 19-30, 2011. Alex
Neimark visits China, where he presents Invited Lecture Series at Nanjing University, and
Invited Seminars at Tsinhua University, Peking University, and Beijing
University of Chemical Technology in Beijing.
June 9 - 11, 2011.
CNRS of France organizes
a three day Workshop
“
Adsorption in Compliant Solids: Theory, Simulation, and Experiments
”
in Paris, on
the occasion of awarding a Blaise
Pascal International Chair to Alex Neimark
for his
work in collaboration with Professor Alain Fuchs. The program includes a series
of invited lectures given by leading experimentalists, theoreticians, and
computer scientists, and a poster session organized in an interactive manner.
Alex Neimark presents the opening lecture
“Adsorption
deformation: What we want to understand”
.
June 5 - 8, 2011.
9th
International Symposium on Characterization of Porous Solids (COPS-9), Dresden,
Germany.
4
podium talks presented by Alex Neimark and his international collaborators and
3 posters presented by Chris Rasmussen and Gennady Gor:
May 18, 2011.
Journées
Modélisation
de Paris, ENS, Paris, France.
Alex Neimark gives an
invited lecture "
Density Functional Theory of Inhomogeneous
Fluids: Bridging Scales from Molecular Simulations to Macroscopic Description
".
May 5, 2011. Advanced Functional
Materials
features the work of John Landers and Dan
Lewitus
Biohybrid Carbon Nanotube/Agarose Fibers for Neural Tissue
Engineering
, which reports the discovery of a new class of nanocarbon
materials for neural engineering.
April 15, 2011
. NSF awards $300,000 to Alex Neimark for a three year GOALI grant "Multiscale Modeling of Adsorption Equilibrium and Dynamics in Polymer Chromatography".The objective of this project to
design novel molecular simulation tools capable of predicting equilibrium
partitioning and dynamics of chain molecules on nanoporous substrates and to
advance fundamental understanding of the physico-chemical mechanisms of
retention in polymer chromatography. The results of this research will have a
significant transformative interdisciplinary impact since it addresses
currently unresolved topical problems that are common across different chemical
and biomedical technologies, and focuses on developing and testing innovative
modeling tools that can be adapted and employed for simulation and optimization
of various processes which involve polymer and biopolymer adsorption and
diffusion on nanostructured substrates and membranes, such DNA sequencing and
packaging. The students involved in this work will benefit from industrial
training and research facilities of DuPont Experimental Station.
January - March, 2011
. New papers published:
Monte Carlo Simulation of Polymer Adsorption
byC.J. Rasmussen, A. Vishnyakov, and
A.V. Neimark, -Adsorption, 2011, V.17, p.265-271;
Structural Transitions in MIL-53 (Cr): View from
Outside and Inside
by A. V. Neimark, F.X. Coudert, C.
Triguero, A. Boutin, A. H. Fuchs, I. Beurroies, and
R. Denoyel, Langmuir, 2011, V.27, p.4734–4741;
Self-assembly
in Charged Block-Copolymers
by S. Yang, A. Vishnyakov, and A.V. Neimark, Journal of
Chemical Physics, 2011, V. 134, 054104
January 6, 2011.
The paper of Alex Neimark and his
French colleagues is listed among the
most
cited JPCL papers of the year 2010
. In this work "
Stress-based Model for the
Breathing of Metal–Organic Frameworks
" published J. Phys. Chem. Lett. 2010, 1, 445–449, Neimark and co-authors suggested a
new thermodynamic model for description of the enigmatic phenomenon of
adsorption-induced structural transformations know as "breathing"
that was recently discovered in metal-organic frameworks.
December 24, 2011.
National Center of Scientific
Research (CNRS) of France organizes
a three day Workshop “
Adsorption in Compliant Solids:
Theory, Simulation, and Experiments
”
in Paris, on June 9 - 11, 2011 on the occasion of awarding a
Blaise Pascal
International Chair
to Professor Alex Neimark for his work in collaboration
with Professor Alain Fuchs. The program will include a series of invited
lectures given by leading experimentalists, theoreticians, and computer
scientists, and a poster session organized in an interactive manner. For
inquiries and requests for poster presentations, please contact the organizers by March
1, 2011. There will be
no conference
fee
, and a modest financial assistance might be available to support
students presenting posters. Registration is mandatory: send an email with your name,
affiliation and addresses, and the poster title (if you want to present). The
deadline for poster proposals is
March
1, 2011
; the deadline for registration is May 1, 2011.
November 26, 2010.
Aleksey Vishnyakov presents a
seminar at the Stockholm University, Sweden.
November 18, 2010.
Alex Neimark presents an invited
seminar at the Imperial College, London, UK.
November 15-19, 2010.
Min-Tsung Lee presents two posters
at the
Chemical and Biological Defense Science and Technology (CBD S&T)
Conference, in Orlando, FL.
November 14-16, 2010.
Aleksey Vishnyakov gives an invited
talk at the
8th International Symposium on Polyelectrolytes, Shanghai,
China.
November 11, 2010.
Aleksey Vishnyakov presents a
seminar at the
School of Earth Sciences and Engineering, Nanjing University,
China.
November 8-12, 2010.
AIChE Annual Meeting, Salt
Lake Sity, UT.
Chris
Rasmussen presents a new method for MC simulation of polymer adsorption in
nanopores and Gennady Gor gives a talk about adsorption deformation phenomena
in mesoporous materials.
September 24, 2010.
Alex Neimark presents a seminar at
the Laboratoire
Chimie Provence, Universités d'Aix-Marseille, France.
August 23, 2010.
Alex Neimark presents an invited
talk "Solvation pressure between molecularly rough surfaces"
at the ACS Symposium in honor of Dr Kash Mittal at the 240th ACS National Meeting, Boston, MA.
July 15, 2010.
Langmuir published
Adsorption-Induced
Deformation of Mesoporous Solids
by Gennady Gor and Alex Neimark.
July
4-9, 2010. 16th International Zeolite Conference
joint with the 7th International Mesostructured Materials Symposium
, IZC-IMMS 2010, Sorrento,
Italy. Alex Neimark presents a talk "Adsorption-induced deformation of
micro- and mesoporous materials" co-authored by , Yangzheng Lin, Gennady
Gor, François-Xavier Coudert, Anne Boutin, and Alain H. Fuchs.
June
5, 2010.
Gennady
Gor has won an IACT Junior award established by the International Association
of Chemical Thermodynamics for scientists younger than thirty years of age.
This award includes a certificate and a travel grant to present a paper at the 21st IUPAC International Conference on Chemical Thermodynamics
(ICCT-2010) conference in Tsukuba, Japan, on Aug.1-6, 2010.
May
23-28, 2010.10th International Conference on Fundamentals of Adsorption
,
Hyogo, Japan. Our group is represented at this major tri-annual event in the
adsorption community with a plenary lecture "The Role of Cavitation in
Adsorption Hysteresis" given by Alex Neimark withChristopher Rasmussen, Aleksey Vishnyakov,
Matthias Thommes, Bernd Smarsly, and Freddy Kleitz , and two session talks "Monte Carlo Simulation
of Polymer Adsorption" by Christopher Rasmussen (speaker), Aleksey
Vishnyakov, and Alexander V. Neimark, and "Adsorption and Diffusion of
Polymers in Nanopores" by Alexander V. Neimark (speaker), Shuang Yang,
Yang Kan, Aleksey Vishnyakov, and Yefim Brun.
April
27, 2010.
Richard Cimino, undergraduate student working with John Landers, wins
the 1st place in
the "Engineering Open House Poster
Competition" for his poster "
Optimization of Manufacturing
Variables in Carbon Nanotube Fiber Production".
March 21–25, 2010. 239th ACS
National Meeting, San Francisco, CA
. Aleksey Vishnyakov presents an invited talk
"Mesoscale simulation of nanosegregation in
permselective polyelectrolyte membranes" and oral paper "
Multiscale simulation studies of
surfactant Interactions with carbopol-type ionic
polymer gels" co-authored by Alex Neimark.
December 10, 2009.
Journal Physical Chemistry Letters
sets a record of 17 days in publishing
a joint work with ChimieParisTech on
Stress-based Model for the Breathing
of Metal–Organic Frameworks
by
A.
V. Neimark, F.X. Coudert
,
A
. Boutin, and A. H. Fuchs. In this paper, we present a novel
approach to describing adsorption-induced structural transformations in
flexible microporous materials drawing on the example of MIL-53 metal-organic
framework.
December 10, 2009.
Alex Neimark presents a seminar at theInstitute Charles Gerhardt,
Montpellier
, France.
December 3, 2009.
Aleksey Vishnyakov presents an
invited talk
at the Fall Meeting of
Materials Research Society,
November 26, 2009.
Alex Neimark presents a seminar at theEcole Polytechnique
,
November 24, 2009.
Alex Neimark presents a seminar at theVrije
Universiteit in
November 16-20, 2009
. Chris Papamitrou receives a
student presentation award at the Chemical and Biological Defense Science and
Technology (CBD S&T) Conference, in
November 10-15, 2009
. AIChE annual meeting, Nashville, TN. We present five papers:
November
5, 2009.
Alex
Neimark presents a Blaise Pascal seminar
attheEcole Nationale Supérieure de
Chimie de Paris
, France
.
October
21-23, 2009
.
Alex Neimark lectures at the CECAM workshop “Classical Density
Functional Theory Methods in Soft and Hard Matter” in
September 9-11, 2009
.
Aleksey Vishnyakov presents a talk
on “How Well Simulants Model CWAs: Insight from ab-initio and Classical Simulations” at the meeting of Chem/Bio Filtration Strategies Working Group,
September 1, 2009.
Alex Neimark has been awarded a 2009 Blaise Pascal
International Chair for his work on statistical mechanics and molecular
simulation of adsorption deformation of nanoporous materials. This is the most
prestigious French award presented annually by the State and the Region
August 23-26, 2009
.
Alex Neimark presents an invited
lecture at the Conference "Diffusion Fundamentals III" in
June 24-26, 2009
.
CPM-5
- the
5th International Workshop "Characterization of Porous Materials: from
Angstroms to Millimeters" – is held at the Hyatt Regency Hotel, New
Brunswick, NJ. This Workshop is organized in a similar manner as the previous
meetings in the CMP series held in
June 9, 2009.
Aleksey Vishnyakov and Alex
Neimark present a new
Multicomponent
Gauge Cell Method
in Journal of Chemical Physics, 2009, V.130, 224103
May 21, 2009.
Alex Neimark receives a grant
award of $450,000 from the Army Research Office for the three year research project.
Molecular Design and Characterization of Novel Nanoporous Adsorbents with
Increased Removal Capacity.
January-February 2009.
New papers published:
December 18, 2008.
Alex Neimark receives an award of
$100,000 from the American Chemical Society Petroleum Research Fund for studies
of adsorption and chromatographic separation of chain molecules on nanoporous
substrates.
November 16-21, 2008.
The Annual AICHE meeting.
October 7, 2008.
Alex Neimark is invited to give a
seminar at the Department of Chemistry,
September 10-12, 2008.
Alex Neimark lectures at
the CECAM workshop "Surfactant Templated Porous
Materials: Synthesis and Characterization",
September 8-9, 2008.
International Meso-structured
Materials Symposium 2008,
July 19-24, 2008.
Aleksey Vishnyakov gives an
invited lecture on "Multiscale simulation of self-assembled
polyelectrolyte membranes" at the symposium on "Theory and Modeling
of Electrochemical Materials for Polymer Electrolyte Fuel Cells" at the
6th Congress of the International Society for Theoretical Chemical Physics
(ISTCP-VI),
July 11-17, 2008.
Alex Neimark visits Japan to give
an invited talk "The Role of Surface Roughness in Adsorption: Applications
to Nanoporous Carbons" at the International Workshop "Future
Challenges for Carbon-Based Nanoporous Materials", Chiba (July 11-13),
oral paper at the International Carbon conference, Nagano (July 14-15) on
"Re-evaluation of the pore size distribution in microporous carbons by
quenched solid density functional theory" with Matthias Thommes of
Quantachrome, and a lecture on Recent Advances in Characterization of Nanoporous
Materials at the National Institute for Materials Science, Tsukuba (July
16-17).
June 16-19, 2008.
Alex Neimark gives an invited
lecture on "Multiscale simulation of self-assembled polyelectrolyte
membranes" at the 7th International Symposium on Polyelectrolytes,
June 10-13, 2008.
The 8th International Symposium on
the Characterization of Porous Solids (COPS-8),
May 26-28, 2008.
5th International Symposium on
Nanoporous Materials,
May 12, 2008.
Alex Neimark invited to
May 5, 2008.
Seminar in the Arrhenius
Laboratory of Stockholm University given by Alex Neimark on “Adsorption on
molecularly rough surfaces and in nanopores".
March 1, 2008.
The article, "Specifics of solvation
of sulfonated polyelectrolytes in water, dimethylmethylphosphonate, and their
mixture: A molecular simulation study," published in The Journal of
Chemical Physics 128, 164902 (2008), has been selected for the May 1, 2008
issue of Virtual Journal of Biological Physics Research. The Virtual Journal covers
a focused area of frontier research. You can access the Virtual Journal at http://www.vjbio.org
December 16-18, 2007.
Alex Neimark presents at
the 98th Statistical Mechanics Conference a plenary talk on
“Fluid-Solid Interactions: Accounting for the Surface Roughness”.
December 7, 2007.
Alex Neimark receives a three-year NIH subcontract award
of $204,000 per year from TRI/Princeton. He will lead the team of
November 23, 2007.
Alex Neimark invited to
November 12,
2007.
Research Project
with Colgate Palmolive. Alex Neimark received $100,000 from the Colgate
Palmolive Innovation Fund to study
structure formation in polymer
solutions and gels by means of multiscale molecular simulations.
November 5-8, 2007.
Six talks given at the Annual
AIChE meeting.
October 30, 2007.
Collaborative research with
October 30, 2007.
Materials Science and Engineering
Seminar,
September 26-28, 2007.
International Conference
“Thermodynamics 2007”,
August 26-29, 2007.
International Conference
“Diffusion Fundamentals II”,
July 30, 2007.
Collaborative research with
July 15-20, 2007.
Keynote at the International
Carbon Conference. Alex Neimark presents novel methods for adsorption
characterization of nanoporous carbons developed in our group in collaboration
with Quantachrome Instruments.
June 14, 2007.
Seminar at Colgate-Palmolive. Alex
Neimark was invited to give a talk on “Multiscale Modeling of Self-Assembled
Polymeric Systems” for industrial scientists involved in research and
development of novel personal care products.
May 21, 2007.
First public announcement of the
5th International Workshop
"Characterization of Porous Materials: From
Angstroms to Millimeters" to be held on
June 24-26, 2009, at
May 20-25, 2007.
Featured at the Fundamentals of Adsorption
International Conference. Our group is represented by two talks given by Alex
Neimark and two collaborative papers with researchers from
Quantachrome Corp.,
May 15, 2007.
Alex Neimark and Aleksey
Vishnyakov reported at the US Army Research, Development and Engineering
Command,
April 17, 2007.
Special Volume of Colloids and
Surfaces.
March 6, 2006.
Alex Neimark named a winner of
2007 competition under ARO Defense University Research Instrumentation Program
(DURIP). A new grant “
Computational System for Simulation of Nanostructured
Polymeric Materials
” will significantly extend existing computational
capabilities for developing novel multiscale methods for nanomaterials modeling
and characterization.
March 5, 2006.
Adsorption lab established at
CBE.
Fully automated physisorption and
chemisorption analyzer
Autosorb-1-C
has been
provided to
Alex Neimark on a free loan by Quantachrome instruments to support research on
modeling and characterization of nanostructured materials. The instrument
performs measurements of adsorption and desorption isotherms for
characterization of surface area, pore volume and pore size distribution of
microporous and mesoporous solids. It includes automated gas switching, in-situ
sample preparation, high temperature furnace and digital temperature controller
for precise chemisorption measurements and characterization of active surface
area, heats of adsorption, degree of dispersion, average crystallite size.
December 19, 2006.
Advancing the Density Functional
Theory.
December 15, 2006.
Collaborative Research with
December 7, 2006.
ARO awards to Alex Neimark a new
grant.
November 12-16, 2006.
Six talks given at AIChE
Annual Meeting
November 3, 2006.
Featured In Physical Review
Letters
Structural
transitions in MOF: view from outside and inside
.
Alexander
V. Neimark
, F.-X.
Coudert, C. Trigero,
A. Boutin, A.H. Fuchs, I. Beurroies, and R. Denoyel.
Status report of the new IUPAC taskgroup on physisorption of gases, with special reference to the
evaluation of surface area and pore size distribution
.
M. Thommes
(presenter)
, K. Kaneko, A.V. Neimark, J. Olivier, F. Rodriguez-Reinoso, J. Rouquerol, and K.S.W.
Sing.
Dynamic model of breathing transitions in MOF's.
C.
Triguero
, F.-X. Coudert, A. Boutin, A.H. Fuchs, and A.V. Neimark, Rutgers.
Methods
presently available for the characterisation of
macroporous solids: an overview
. J. Rouquerol,
G. Baron, R. Denoyel, H. Giesche,
J. Groen, P. Klobes, P.
Levitz, A.V.
Neimark,
S. Rigby, R. Skudas, K. Sing, M. Thommes, and K.
Unger.
Cavitation of
Lennard-Jones nitrogen in mesopores with heterogeneous adsorption potentials
.
C. Rasmussen, G.Y. Gor, and A.V. Neimark.
Adsorption-induced
deformation of mesoporous solids
.
G. Gor and A.V. Neimark
Pore size analysis of advanced
mesoporous carbons by QSDFT
.
G.
Gor,
M. Thommes, and A.V. Neimark.
Optimizing the Synthesis of Carbon Nanotube
Fibers Utilizing Biocompatiable Components
by
John M. Landers
and Alexander V. Neimark
Calculation of Chemical Potential of Free
and Adsorbed Polymers
by
Christopher
Rasmussen
, Aleksey Vishnyakov, and Alexander V. Neimark
Simulation Studies of Surfactant
Interactions with Carbopol-Type Ionic Polymer Gels
by
Aleksey Vishnyakov
, Andrei Potanin,
and Alexander V. Neimark
Mesoscale Simulation of Nanoscale
Segregation in Polyelectrolyte Membranes
by
Aleksey Vishnyakov
, Shuang Yang,
and Alexander V. Neimark
Translocation of Chain Molecules through,
Into, and Between Nanopores
by Shuang Yang, Yang Kan, Aleksey
Vishnyakov and Alexander V. Neimark.
July 5-10, 2009
.
The Seventh International Symposium
Effects of Surface Heterogeneity
in Adsorption and Catalysis on Solids, ISSHAC-7,
A.V. Neimark, Y. Lin, P.I. Ravikovitch, and M. Thommes. -
Quenched solid density
functional theory and pore size analysis of micro-mesoporous carbons
, -
Carbon, 2009, V.47, p.1617-1628.
C. Vercaemst, H. Friedrich, P. de Jongh,
A.V. Neimark, B. Goderis, F. Verpoort,
P. Van Der Voort, -
Periodic mesoporous organosilicas consisting of 3D hexagonally ordered
interconnected globular pores
, - Journal Physical Chemistry C, 2009, V.
113, p. 5556-5562.
K. Miyasaka, A.V. Neimark, and O. Terasaki, -
Density functional theory of
in-situ synchrotron powder X-ray diffraction on mesoporous crystals: Argon
adsorption on MCM-41
, - Journal Physical Chemistry C, 2009, V.113,
p.791-794.
Mesoscopic Canonical Ensemble presented by Alex Neimark
Determination Of Chemical Potentials Of Quasi-Particles In Coarse-Grained
Models Of Complex Fluids And Polyelectrolytes
presented by Alex Neimark and
Aleksey Vishnyakov
Extension of the Quenched Solid Density Functional Theory to Adsorption on
Carbons
presented by Peter I. Ravikovitch and Alex Neimark
Mesoscale Simulations Of Hydrated Nafion Membranes presented by Aleksey
Vishnyakov and Alex Neimark
Adsorption and Phase Behavior of Fluids in Novel Micro/Mesoporous Silica
Materials with Hierarchical Pore Structure
presented by Matthias Thommes,
Ö. Sel,Peter I. Ravikovitch, Bernd Smarsly, and Alex Neimark
Solvation And Dynamics Of Sulfonated Polystyrene In Water And Nerve Agent
Simulants
presented by Aleksey Vishnyakov and Alex Neimark
Positive curvature effects and inter-particle capillary
condensation during nitrogen adsorption in particulate porous materials
,
by C.J. Gommes, P.I. Ravikovitch, and A.V. Neimark,
Journal of Colloid and Interface Science 2007, V. 314, p.p. 415–421.
Interaction of water vapour at
298 K with Al-MCM-41 materials synthesised at room
temperature
,
by P.A. Russo, M.M.L. Ribeiro
Carrott, A. Padre-Eterno,
P.J.M. Carrott, P.I. Ravikovitch, and A.V. Neimark,
Microporous and Mesoporous Materials 103 (2007) 82–93.
Proceedings of the 4th International Workshop “
Characterization
of Porous Materials: from Angstroms no Millimeters
” are published in
Colloids
and Surfaces A: Physicochem.
Two papers published in Langmuir by Peter Ravikovitch and Alex Neimark open up
new perspectives in DFT models of adsorption systems.
“Density
Functional Theory Model of Adsorption on Amorphous and Microporous Silica
Materials”
–
Langmuir, 22,
10864
(2006).
“Density Functional
Theory Model of Adsorption Deformation”
– Langmuir, 22,11171 (2006).
“Using Nitrogen and Carbon Dioxide Molecules To Probe Arsenic
(V) Bioaccessibility in Soils”
–
by
K.C. Makris, D. Sarkar, R. Datta, P.I.
Ravikovitch, and A.V. Neimark,
Environmental Science and Technology, 2006, V. 40, 7732-7738.
Research grant “
Molecular Design of Sulfonated Block Copolymer Permselective
Membranes
” will enable developing novel methods for multiscale
simulation of nanostructure formation and transport in ion-exchange polymers.
Tailoring of Pore Structure of Carbon Nanotube Fibers for Biomedical
Applications
presented by Gerardo Callegari, K
G Kornev, Peter I. Ravikovitch, John Kuppler, and Alexander V. Neimark
Density Functional Theory Model of Adsorption on Amorphous and Microporous
Silica Materials
presented by Peter I. Ravikovitch and Alexander V. Neimark
Using Nitrogen and Carbon Dioxide Adsorption to Estimate Arsenic(V) Bioaccessibility in Soils
presented by Peter I.
Ravikovitch, Alexander V. Neimark, Konstantinos C. Makris, Dibyendu Sarkar
Characterization of Polymer-Templated Micro-
Mesoporous Silicas by Gas Adsorption, Small Angle X-Ray Scattering and Dft Modeling
presented by Peter I. Ravikovitch,
Alexander V. Neimark, Pasquale F. Fulvio, Mietek Jaroniec, and Leonid A. Solovyov
Phase Behavior in Nanosystems: the Difference
between the Canonical and Grand Canonical Ensembles
presented by Alexander
V. Neimark and Aleksey Vishnyakov.
Thermodynamic Approach to Adsorption Deformation presented by Alexander
V. Neimark and Peter I. Ravikovitch
“Ribbon-to-fiber transformation in the process of spinning of
carbon-nanotube dispersion”
by K.G. Kornev, G. Callegari, J. Kuppler, S. Ruetsch and A.V. Neimark, PRL 97, 188303 (2006).