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 5 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), Carbon Dioxide, Coal Char

Xiawa Wu

Assistant Professor, Mechanical Engineering, School of Engineering (Behrend)
Top research keywords: Cellulose Nanocrystals, Molecular Dynamics Simulation, Molecular Dynamics Study, Pectin, Microcrystalline Cellulose

Yun Kyung Shin

Associate Research Professor, Mechanical Engineering
Top research keywords: ReaxFF, ReaxFF Reactive Force Field, Force Field, Molecular Dynamics Simulation, Alloy

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

Distinguished Professor, Chemical Engineering
Top research keywords: Density Functional Theory, Catalyst, Formation, First Principle, Density Functional Calculations