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Neimark Research Group |
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Modeling
and Characterization of Nanophases and
Nanostructured Materials:from Molecular to Macroscopic Scales |
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Group retreats with alumni and collaborators on September 21, 2025 |
Principal Investigator
Alex Neimark - Thermodynamics and Transport in Nanoscale Systems
Research Assistant Professor Research Teaching Professor PhD students International PhD students Undergradute students - Aresty fellows Group Alumni Research Associate Professor
Postdoctoral fellows Graduated Students Undergraduate Students:
REU/RISE and special fellowship summer students:
Collaborations Academic Industrial and governmental International
Kolattukudy Santo – Coarse-grained Modeling of Nanoparticle Aggregation and Separation
Nicholas Corrente, Modeling of Nanoporous Materials
Abdelraheem Abdallah, Modeling Flow of Non-wetting Fluids in Nanopores
Sebastian Stock, Montanuniversität Leoben, Austria, Supercritical adsorption of molecular hydrogen and deuterium in microporous carbons
Kaelyn Chang, Chemical and Biochemical Engineering department
Evan Schley, Chemical and Biochemical Engineering department
Andrew Hie, Computer Science
Pal Mehta, Chemical and Biochemical Engineering department
Muh Noor, Chemical and Biochemical Engineering department
Disha Khot, Chemical and Biochemical Engineering department
Varshaa Venkitesh, Physics
Arnav Saxena, Computer Sciences
Aleksey Vishnyakov - Computational Chemistry and Molecular Simulation (SkolTech, Aramco)
2016-2017 Richard Cimino - Molecular Simulation of Chromatographic Separation of Polymers, (NJIT)
2014-2016 John Landers – Fabrication and Characterization of Multicatalyst Polyelectrolyte Membranes (ECBC)
2016 Somisetti Sambasivarao – Molecular Simulation of Reactions on Multicatalyst Polyelectrolyte Membranes (Drexel)
2014-2015 Zhengjia Wang – DPD Simulations of Nanoparticle-Membrane Interactions (Harbin University)
2010-2012 Shuang Yang – Self-Consistent Field Theory and Dissipative Particle Dynamics of Polymers (Peking University)
2010-2012 Carlos Triguero - Theory of Elastic Deformation of MOFs (ENSCP)
2009-2011 Gennady Gor – Thermodynamics and Density Functional Theory of Adsorption and Adsorption deformation (NJIT)
2008-2009 Yangzheng Lin – Density Functional Theory of Confined Fluids (PennState)
Shivam Parashar, Molecular Simulation of Adsorption in Flexible Porous Solids, PhD – 2024.
Nicholas Corrente, Modeling of Nanoporous Materials, PhD – 2025.
Runcen Yin (CBE), Corse-grained modeling of surfactant adsorption and self-assembly.
Silvio Dantas, Monte Carlo Simulation of Adsorption in Nanopores, PhD – 2021 (MERK, PA)
Sean Burgess – Mesoscale Modeling of Self-Assembled Membranes, PhD – 2019 (Genentech, San Francisco, CA)
Jonathan Colon - Fabrication and Characterization of Multicatalyst Polyelectrolyte Membranes,
PhD – 2019 (Seres Therapeutics, Boston, MA)
Parva Patel, MS – 2019 (Solaris Pharmaceutical)
Ravish Kumar – DPD Simulation of Nanostructure of hydrated polyelectrolyte membranes, MS-2017 (Raritan Pharmaceutical, NIT Trichy)
Joel Baptist - Synthesis and coating of poly oxomethalate polymer films, MS-2016
Tianying Ma – Modeling of Asphaltene Precipitation, MS-2016
Richard Cimino – Molecular Simulation of Chromatographic Separation of Polymers, PhD – 2016 (Rowan)
Runfang Mao – Mesoscale Models for Industrial Surfactants MS – 2015 (Lehigh)
Ting Li – Molecular Dynamics of Supported Lipid Bilayers MS – 2015
Ming-Tsung Lee – Multiscale Modeling of Polymeric and Surfactant Systems PhD – 2015 (National Taipei University of Technology)
Saurin Raval – Modeling Single-File Diffusion, MS – 2015 (LSU)
Jingli Cheng – DPD Modeling of Polymer Brushes, MS -2014 (UCSD)
Parag Shah - Nanocarbon Scaffolds for Neural Stem Cell Engineering, MS - 2014
Chris Rasmussen – Monte Carlo Simulation of Polymer Sorption in Nanopores, PhD – 2012 (Bolt Threads, Director of Analytical Science & Testing)
John Landers – Fabrication and Characterization of Nanoporous Materials, PhD – 2012 (ECBC)
Chris Papamitrou – Molecular Modeling of Toxic Chemicals, MS – 2010 (RJ Reynolds Tobacco)
Kan Yang – DFT and DPD Modeling of Nanoporous Solids, PhD – 2010 (Nanjing)
Greg Heden – Nanocarbon Scaffolds for Neural Stem Cell Engineering, MS – 2013
2022-2023, Johnny Kelly, Aresty Fellow – Monte Carlo Simulation of Adsorption on MOF materials
2023, Ryan Jaworski, REU student, Coarse-grained Simulation of Lipid Films
2022-2023, Ian Rosenheim, Aresty Fellow, Molecular simulations of H2 adsorption
2023-2024,Tijil Kiran, Aresty Fellow, Hybrid Monte Carlo Molecular Dynamics simulations of gas adsorption
2023-2024, Suchit Kalluru, Aresty Fellow, Mesocanonical ensemble simulations of gas adsorption
2022-2023 Aditya Ningaiah. Aresty Fellow, Coarse-grained Simulation of Biological Films
2020-2023, Elizabeth Hinks (Aresty student) – Molecular Simulation of hydrocarbon adsorption
2020-2023, Aastha Kasera (Aresty student) – Molecular Simulation of adsorption deformation
2020- 2022, Skandan Venkatraman (Aresty student)– Monte Carlo Simulation of MOFs
2021-2023, Raleigh Gough (BME) – Molecular Modeling of Adsorption
2022-20233 Pooja Rana (Aresty student) – MC simulations of 3D kerogen nanostructures
2022-2023 Ajay Pate (Aresty student) - MC simulations of 3D kerogen nanostructures
2021 Connie Chen (Douglass' Project Super Program)- Development of Grand Canonical Monte Carlo code for gas adsorption
2021, Aparna Jayakumar (REU student) – Molecular simulations of adsorption
2020-2021, Girish Ganeshan (Aresty student), Calculation of Geometric Pore Size Distribution in Nanoporous Material
2019 Summer (RISE student), Qing Zhu, Monte Carlo simulations of adsorbate probes in MOFs
2018-2019 Anton Ryjov (Aresty student), Qing Zhu (RISE/REU student,) George C. Gabounia (Aresty student), Anthony Berninzon
2017-2018 Andrew Alvarez (RISE/REU student), Eman Ahmen (Aresty student), Christopher Tsovko, Dmitriy Rukodanov, Shiva Murali, Monica George, Parth Patel.
2016-2017 Dmitriy Rukodanov, Parth Patel, Kenneth Zong, Man Kwok, Shiva Murali, Monica George, Sagar Patel, Exequiel Punzalan (RiSE/REU student)
2015-2016 Mayra Azin (Science without Borders Student), Kimberly Kam, Sagar Patel, Dmitriy Rukodanov, Parth Patel, Kenneth Zong, Man Kwok
2014-2015 Joseph Vero (Aresty Research Fellow), Kenneth Zong (Aresty Research Fellow), Silvio Furtado Ximenes (Science without Borders Student)
2013-2014 Rafael Vasconcelos (Science without Borders Fellow), Gabriel Ribeiro (Science without Borders Fellow)
2012-2013 Matt Keys, Carbon Nanotube Agarose Composites for Flexible Ultra-Capacitors
2011-2012 Greg Heden, Matthew Keys, Modupe Sonaike
20010-2011 Peter Becker, Richard Shaw, Roel Mercado, Alex Kadolka, .O. Sam Luther, Greg Heden, Aaron Chun
2009-2010 Richard Cimino, Opeyemi S. Luther, Pete Becker, Emmanuel Adachi
2008—2009 Christopher Eid, Andrew Miller
2007-2008 Tim Lebo, Andrew Miller
2006-2007 John Kuppler
Aparna Jayakumar (REU student)– 2021
Girish Ganesan (Aresty student) – 2019-2020
Qing Zhu (RISE/REU student)
Andrew Alvarez (RiSE student) - 2018
Exequiel Punzalan (REU student)– 2017
Kenneth O’Neill (REU student) – 2015
Dmitriy Rukodanov (Aresty Summer Fellow) - 2015
Alexis Fenton (REU student) - 2015
David Sroczynski, Cornell - 2013
Remie Yu, NASA fellowship - 2011
Kaitlin Kowalsky, Cooper Union -2009
Krizia Karry, University of Puerto Rico - 2008
Nicolle Ferreira, University of Illinois - 2007
Jakob Söllner, Friedrich-Alexander-Universität Erlangen-Nürnberg, Germany, Percolation Model of adsorption in pore networks, 2024.
Carola Schlumberger,Friedrich-Alexander-Universität Erlangen-Nürnberg, Germany, Modeling NMR Relaxion in Mesoporous Materials, 2023.
Xinyang Wang, Northeastern University, Shenyang, China, 2019-2020
Filip Formalik, Wroclaw University of Science and Technology, Poland, 2019
Hong-Guan Wu, East China University of Science and Technology, 2018-2019
Christian Balzer, Germany, 2014
Michal Krizek, Czech Republic, 2013
Ryohei Numaguchi, Japan, 2011
Professor Matthias Thommes, Friedrich-Alexander University Erlangen-Numberg, Erlangen, Germany
Professor Prahbas Moghe, CBE & BME, Rutgers University, NJ
Professor Joachim Kohn, NJ Center for Biomaterials, Rutgers University, NJ
Professor Teddy Asefa, CBE, Rutgers University, NJ
Professor David Talaga, Montclair University, NJ
Dr. Nathan Schneider, US Army Natick Soldier RDEC, Natick, MA
Dr. Joe Pignatello, Connecticut Agricultural Experiment Station, New Haven, CT
Dr. Peter Ravikovitch, ExxonMobil Research and Engineering Company, Annandale, NJ
Dr. Yefim Brun, E.I. du Pont de Nemours and Company, Wilmington, DE
Professor Alain Fuchs and Dr. F,-X. Coudert, CNRS-ChemieParisTech, Paris, France
Dr. Anne Bouten, Ecole Normal, Paris, France
Professor Oskar Paris, Leoben, Austria
Dr. Gudrun Reichenauer, Wuerzburg, Germany
Dr. Renaud Denoyel, Marseille, France
Professor Krijn de Jong, Utrecht University, Netherlands
Professor Manuela Ribeiro Carrot, Evora University, Portugal
Professor Osamu Terasaki, Stokholm University, Sweden
Dr. Mikhail Baklanov, Interuniversity MicroElectronic Center (IMEC), Leuven, Belgium
Professor Pascal Van den Voort, University of Ghent, Belgium
Professor Berndt Smarsly, University of Siegen, Germany
Professor Freddy Kleitz, Laval University, Canada
Dr. Cedric J. Gommes,University of Liège, Belgium
Dr. Piotr Kowalczyk, Murdoch University, Perth, Australia