Affiliated Researchers | Institute of Energy and the Environment

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

Displaying 6 search result(s) for Atomistic Modeling.

Jonathan Mathews

Professor, John and Willie Leone Department of Energy & Mineral Engineering (EME)
Top research keywords: Bituminous Coal, Vitrinite, High-resolution Transmission Electron Microscopy (HRTEM), Aromatics, Inertinite

Xiawa Wu

Assistant Professor, Mechanical Engineering, School of Engineering (Behrend)
Top research keywords: Cellulose Nanocrystals, Molecular Dynamics Simulation, Computer Simulation, Cellulose I, Indentation

Adri van Duin

Distinguished Professor, Mechanical Engineering
Top research keywords: ReaxFF, Surface (Surface Science), Computer Simulation, Molecular Dynamics Simulation, ReaxFF Reactive Force Field

Yun Kyung Shin

Associate Research Professor, Mechanical Engineering
Top research keywords: ReaxFF, Surface (Surface Science), ReaxFF Reactive Force Field, Computer Simulation, Force Field

Susan Sinnott

Department Head and Professor, Materials Science and Engineering
Top research keywords: Molecular Dynamics Simulation, Density, Surface (Surface Science), Carbon Nanotube, Computer Simulation

Michael Janik

Professor, Chemical Engineering
Top research keywords: Density, Density Functional Theory, Surface (Surface Science), Oxidation Reaction, Density Functional Calculations