Current Members

Postdoctoral Associates

Hakan Demir

Research: Adsorption/Separation of Gases (DFT, GCMC, MD), Catalysis (DFT)

Evgenii Fetisov

Research: Algorithm development; Reactive phase and sorption equilibria

Tyler Josephson

Research: Method development and machine learning; adsorption and catalysis in nanoporous materials

Mona Minkara

Research: Surfactants using Monte-Carlo algorithm

Raghu Thyagarajan

Research: Monte Carlo and machine learning techniques applied to directed assembly of colloidal particles; Advanced Monte Carlo methods for simulation of phase equilibria (adsorption) in nanoporous materials

Graduate Students

Jingyi Chen

Research: Molecular simulation of bubbly water systems

Robert DeJaco

Research: Predictive Modeling of Adsorption of Oxygenated Compounds from Biomass

Zhengyuan (Donny) Shen

Research: Simulation and modeling of polymer blend phase behavior

Bai Xue

Research: Monte Carlo simulation of solvation environment and micro-heterogenous systems

Undergraduate Research Assistants

Colin Bunner

Research: HPHT Phase Separations, Force Field Development

Iain Schmitt

Research: Modeling liquid-liquid extraction separation of ethanol