People
Group Alumni
Graduate Students
Ph.D., 2010-2014
Thesis: Aggregation in concentrated protein solutions: insights from rheology, neutron scattering and molecular simulations [link]
Ph.D., 2010-2014
Thesis: Development of Structure-property Relationships for Intrinsically Microporous Polymers through Molecular Simulations [link]
Current affiliation: Senior Engineer at Dow Chemical Company, Performance Plastics
Ph.D., 2009-2013
Thesis: Molecular Simulations of Nanoporous Glassy Materials [link]
Current affiliation: Sandia National Laboratories, Postdoctoral Researcher
Sasha Perkins
M.Sc., 2011-2013
Thesis: An Experimental and Computational Study of Choline Chloride-based Deep Eutectic Solvents [link]
Current affiliation: ExxonMobil Chemical, Process Engineer
Kristin Patterson
2007-2012
Adsorption behavior of model proteins on surfaces using dissipative particle dynamics
Nicolás Moreno
M.Sc., 2011 (National University of Colombia)
Simulación molecular del comportamiento mucoadhesivo de biopolímeros farmacéuticos en contacto con mucinas
Current affiliation: KAUST University, PhD graduate student
Gregory Larsen
Ph.D., 2011
Thesis: Simulations and Experiments on Gas Adsorption in Novel Microporous Polymers [link]
Current affiliation: 3M, Senior Research Engineer
Alma Cataño Barrera
M.Sc., 2011
Thesis: Polymer Solutions and Solvent-Supercritical Carbon Dioxide Studies Applying PC-SAFT [link]
Current affiliation: Universidad Autónoma de San Luis PotosÃ, Mexico, Research Professor
Fidel Castro Marcano
M.Sc., 2010
Thesis: High-Pressure Gases in Amorphous Polymers [link]
Current affiliation: Procter & Gamble
Postdoctoral Researchers
Ping Lin
Postdoctoral Researcher, 2012-2013
Coarse-grained modeling of immunoglobulin G
Current affiliation: PMC Advanced Technology LLC, Researcher
Ibrahim M Abdelrady
Postdoctoral Researcher, 2008-2012
Dynamics of of RNA-dependent RNA polymerases (RdRps) from RNA viruses
Current affiliation: Penn State, Research Assosiate
Hujun Shen
Postdoctoral Researcher, 2008-2010
Dynamics of poliovirus (PV) RNA dependent RNA polymerase (RdRp) using molecular dynamics (MD) and the elastic network model (ENM)
Current affiliation: Dalian Institute of Chemical Physics, China, Associate Professor
Visiting Researchers
Hendrik Frentrup
Visiting Researcher, November 2013
Modelling gas transport in PIMs
Camilo López Santamaría
Visiting Researcher, 2013
Coarse-grained simulations of interfacial water-polymer systems.
Annalaura Del Regno
Visiting Researcher, June 2012
Molecular simulations of organic molecules of intrinsic microporosity (OMIMs)
Rupert Taylor
Visiting Researcher, May 2012
Molecular simulations and X-ray scattering of organic molecules and dendrimers of intrinsic microporosity (OMIMs, DIMs)
Undergraduate Students
Stephen Weitzner
Undergraduate Researcher, 2012-2013
Dissipative particle dynamics (DPD) modeling of calcium phosphosilicate nanoparticles (CPSNPs)
Justin Hughes
Undergraduate Researcher, 2012-2013
Molecular simulations of octene/styrene divinylbenzene copolymers
Jeff Springmeier
Undergraduate Researcher, 2011-2012
Molecular simulations of polymers of intrinsic microporosity (PIMs)
Christopher Kee
Undergraduate Researcher, 2011-2012
Rheological study of the yield-like behavior of bovine serum albumin (BSA) in solution
José Ponte
Undergraduate Researcher, 2011-2012
Molecular simulations of organic molecules of intrinsic microporosity (OMIMs)
Brittany Smith
Undergraduate Researcher, 2010-2011
Adsorption of model proteins on surfaces with different hydrophobicities using dissipative particle dynamics (DPD)
Patrick Hricko
Undergraduate Researcher, 2009-2010
Mechanical stiffness of DNA through molecular dynamics (MD) simulations
Jedidiah Chubb
Undergraduate Researcher, 2009
Molecular simulations of polymers of intrinsic microporosity (PIMs)
Anna Kobb
Undergraduate Researcher, 2009
Rebeca Romero Aburto
Undergraduate Researcher, 2008
Molecular dynamics simulations of a mutation of the 1RA6 polymerase
Richard Rump
Undergraduate Researcher, 2008
Richard now works at the US Patent Office
Erik Haussmann
Undergraduate Researcher, 2008
Simulations of biomaterials and proteins
Tamara Lubysheva
Undergraduate Researcher, 2008
Noah Pierce Cohen
Undergraduate Researcher, 2007
REU Students
David Roehrich
REU Student, Summer 2013
Molecular simulations of an Immunoglobulin G antibody
MaryBeth Petrie
REU Student, Summer 2013
Simulations of microphase separation in semi-rigid di-block copolymers
Pelumi Adenikinju
REU Student, Summer 2012
Molecular simulations of organic molecules of intrinsic microporosity (OMIMs)
Eliana Marcela Charry
REU Student, Summer 2012
Mucin aggregation from molecular simulations
Julie Soderlind
REU Student, Summer 2012
Molecular modeling of blood plasma factor XII (FXII)
Ben deGlee
REU Student, Summer 2011
Modeling the packing behavior of organic molecules of intrinsic microporosity (OMIMs)
Grant Gonzalez
REU Student, Summer 2011
Atomistic simulations of amorphous, linear polymers by a simulated polymerization technique
Stephen Weitzner
REU Student, Summer 2011
Dissipative particle dynamics (DPD) simulations to model calcium phosphate nanocomposites
Victor Torrealba
REU Student, Summer 2010
Aggregation of polymeric biomaterials using the mesoscopic technique dissipative particle dynamics (DPD)
Mallory Smyth
REU Student, Summer 2009
Polymers of intrinsic microporosity
Wai-Fong Chan
REU Student, Summer 2009
Polymers of intrinsic microporosity