Affiliated Researchers: Molecular Dynamics Simulation

Affiliates are Penn Staters who have a connection to or an interest in the work of the Institutes of Energy and the Environment.

Displaying 12 search result(s) for Molecular Dynamics Simulation.

Yuan Xuan


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

Xiawa Wu


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

Kristen Fichthorn


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

Adri van Duin


Professor and Kenneth Kuan-Yuo Kuo Early Career Professorship, Mechanical Engineering
Top research keywords: Molecular Dynamics, Field Theory (physics), Simulation, Force, Computer Simulation

Bladimir Ramos-Alvarado


Assistant Professor, Mechanical Engineering
Top research keywords: Proton Exchange Membrane Fuel Cells (PEMFC), Liquids, Wettability, Fuel Cells, Water

Baiou Shi



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

Sulin Zhang


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

Janna Maranas


Professor, Chemical Engineering
Top research keywords: Polyethylene Oxides, Neutron Scattering, Molecular Dynamics, Simulation, Polymers

Linghao Zhong


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

Scott A. Showalter


Professor, Chemistry
Top research keywords: Intrinsically Disordered Proteins, Protein, RNA, MicroRNA, RNA Polymerase II

Shunli Shang


Senior Scientist, Materials Science and Engineering
Top research keywords: Phonons, Phonon, Thermodynamics, Alloy, Density Functional Theory

John Mauro


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