Affiliated Researchers: Molecular Dynamics Simulation

Yuan Xuan

Associate Professor, Mechanical Engineering
Top research keywords: Flame, Soot, Flames, Fuel, Simulation

Xiawa Wu

Assistant Professor, Mechanical Engineering, School of Engineering (Behrend)
Top research keywords: Cellulose Nanocrystals, Cellulose, Molecular Dynamics, Nanocrystal, Crystalline Materials

Linghao Zhong

Professor of Chemistry, Penn State Mont Alto
Top research keywords: Cellulose, Soil, Simulation, Molecular Dynamics Simulation, Trichoderma

Baiou Shi

Top research keywords: Wetting, Molecular Dynamics, Spreading, Simulation, Drop

Adri van Duin

Distinguished Professor, Mechanical Engineering
Top research keywords: Molecular Dynamics, Field Theory (physics), Simulation, Force, Computer Simulation

Susan Sinnott

Department Head and Professor, Materials Science and Engineering
Top research keywords: Molecular Dynamics, Simulation, Many-Body Potential, Density Functional Theory, Computer Simulation

Bladimir Ramos-Alvarado

Associate Professor, Mechanical Engineering
Top research keywords: Liquids, Proton Exchange Membrane Fuel Cells (PEMFC), Heat Sinks, Wettability, Fuel Cells

John Mauro

Professor, Materials Science and Engineering
Top research keywords: Glass, Aluminosilicate Glass, Aluminosilicates, Glass Transition, Silicate Glass

Jonathan Mathews

Professor, John and Willie Leone Department of Energy & Mineral Engineering (EME)
Top research keywords: Coal, Bituminous Coal, Molecules, Simulation, Vitrinite

Shimin Liu

Professor, John and Willie Leone Department of Energy & Mineral Engineering (EME)
Top research keywords: Coal, Coal Bed Methane, Shale, Sorption, Methane

Daniel Haworth

Professor, Mechanical Engineering
Top research keywords: Flame, Turbulence, Radiation, Simulation, Probability Density Function

Yun Kyung Shin

Associate Research Professor, Mechanical Engineering
Top research keywords: Force, Simulation, Field Theory (physics), Molecular Dynamics, Silica

Ying Gu

Professor, Biochemistry & Molecular Biology
Top research keywords: Cellulose Synthase, Arabidopsis, Cellulose, Pollen Tube, Microtubules

Ismaila Dabo

Corning Faculty Fellow Associate Professor of Materials Science and Engineering, Materials Science and Engineering
Top research keywords: Density Functional Theory, Electronic Structure, Transition Metals, Energy, Photocatalysts

Scott A. Showalter

Professor, Chemistry
Top research keywords: Intrinsically Disordered Proteins, Protein, RNA, Statistical Ensemble, MicroRNA

Sulin Zhang

Professor, Engineering Science and Mechanics
Top research keywords: Lithiation, Carbon Nanotubes, Lithium-ion Batteries, Lithium, Electric Batteries

Kristen Fichthorn

Merrell R. Fenske Professor, Chemical Engineering
Top research keywords: Molecular Dynamics, Simulation, Nanocrystals, Surface, Density Functional Theory