People

Group Alumni

Graduate Students

Maria Monica CastellanosMaria Monica Castellanos

Ph.D., 2010-2014
Thesis: Aggregation in concentrated protein solutions: insights from rheology, neutron scattering and molecular simulations [link]

Kyle HartKyle Hart

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

Lauren AbbottLauren Abbott

Ph.D., 2009-2013
Thesis: Molecular Simulations of Nanoporous Glassy Materials [link]

Current affiliation: Sandia National Laboratories, Postdoctoral Researcher

Sasha Perkins

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

Kristin Patterson

2007-2012
Adsorption behavior of model proteins on surfaces using dissipative particle dynamics

Nicolás Moreno

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

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

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 Potosí, Mexico, Research Professor

Fidel Castro Marcano

Fidel Castro Marcano

M.Sc., 2010

Thesis: High-Pressure Gases in Amorphous Polymers [link]

Current affiliation: Procter & Gamble

Postdoctoral Researchers

Ping Lin

Ping Lin

Postdoctoral Researcher, 2012-2013
Coarse-grained modeling of immunoglobulin G

Current affiliation: PMC Advanced Technology LLC, Researcher

Ibrahim Moustafa

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

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

Hendrik Frentrup

Visiting Researcher, November 2013

Modelling gas transport in PIMs

Camilo Lopez Santamaria

Camilo López Santamaría

Visiting Researcher, 2013

Coarse-grained simulations of interfacial water-polymer systems.

Annalaura Del Regno

Annalaura Del Regno

Visiting Researcher, June 2012

Molecular simulations of organic molecules of intrinsic microporosity (OMIMs)

Rupert Taylor

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

Stephen Weitzner

Undergraduate Researcher, 2012-2013

Dissipative particle dynamics (DPD) modeling of calcium phosphosilicate nanoparticles (CPSNPs)

Justin Hughes

Justin Hughes

Undergraduate Researcher, 2012-2013

Molecular simulations of octene/styrene divinylbenzene copolymers

Jeff Springmeier

Jeff Springmeier

Undergraduate Researcher, 2011-2012

Molecular simulations of polymers of intrinsic microporosity (PIMs)

Chris Kee

Christopher Kee

Undergraduate Researcher, 2011-2012

Rheological study of the yield-like behavior of bovine serum albumin (BSA) in solution

Jose Ponte

José Ponte

Undergraduate Researcher, 2011-2012

Molecular simulations of organic molecules of intrinsic microporosity (OMIMs)

Brittany Smith

Brittany Smith

Undergraduate Researcher, 2010-2011

Adsorption of model proteins on surfaces with different hydrophobicities using dissipative particle dynamics (DPD)

Patrick Hricko

Patrick Hricko

Undergraduate Researcher, 2009-2010

Mechanical stiffness of DNA through molecular dynamics (MD) simulations

Jedidiah Chubb

Jedidiah Chubb

Undergraduate Researcher, 2009

Molecular simulations of polymers of intrinsic microporosity (PIMs)

Anna Kobb

Anna Kobb

Undergraduate Researcher, 2009

Rebeca Romero Aburto

Rebeca Romero Aburto

Undergraduate Researcher, 2008

Molecular dynamics simulations of a mutation of the 1RA6 polymerase

Richard Rump

Richard Rump

Undergraduate Researcher, 2008

Richard now works at the US Patent Office

Erik Haussmann

Erik Haussmann

Undergraduate Researcher, 2008

Simulations of biomaterials and proteins

Tamara Lubysheva

Tamara Lubysheva

Undergraduate Researcher, 2008

Noah Pierce Cohen

Noah Pierce Cohen

Undergraduate Researcher, 2007

REU Students

David Roehrich

David Roehrich

REU Student, Summer 2013

Molecular simulations of an Immunoglobulin G antibody

MaryBeth Petrie

MaryBeth Petrie

REU Student, Summer 2013

Simulations of microphase separation in semi-rigid di-block copolymers

Pelumi Adenikinju

Pelumi Adenikinju

REU Student, Summer 2012

Molecular simulations of organic molecules of intrinsic microporosity (OMIMs)

Marcela Charry

Eliana Marcela Charry

REU Student, Summer 2012

Mucin aggregation from molecular simulations

Julie Soderlind

Julie Soderlind

REU Student, Summer 2012

Molecular modeling of blood plasma factor XII (FXII)

Ben deGlee

Ben deGlee

REU Student, Summer 2011

Modeling the packing behavior of organic molecules of intrinsic microporosity (OMIMs)

Grant Gonzalez

Grant Gonzalez

REU Student, Summer 2011

Atomistic simulations of amorphous, linear polymers by a simulated polymerization technique

Stephen Weitzner

Stephen Weitzner

REU Student, Summer 2011

Dissipative particle dynamics (DPD) simulations to model calcium phosphate nanocomposites

Victor Torrealba

Victor Torrealba

REU Student, Summer 2010

Aggregation of polymeric biomaterials using the mesoscopic technique dissipative particle dynamics (DPD)

Mallory Smyth

Mallory Smyth

REU Student, Summer 2009

Polymers of intrinsic microporosity

Wai-Fong Chan

Wai-Fong Chan

REU Student, Summer 2009

Polymers of intrinsic microporosity