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 17 search result(s) for Molecular Dynamics Simulation.

Xiawa Wu

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

Yuan Xuan

Associate Professor, Mechanical Engineering
Top research keywords: Sooting Tendency, Soot, ReaxFF Molecular Dynamics, Polycyclic Aromatic Hydrocarbons, Large Eddy Simulation

Malgorzata Kowalik

Researcher, Mechanical Engineering
Top research keywords: Graphene, Carbon Fiber, Polyacrylonitrile, Magnetic Moment, Density

Adri van Duin

Distinguished Professor, Mechanical Engineering
Top research keywords: ReaxFF, Molecular Dynamics Simulation, ReaxFF Reactive Force Field, Reactive Molecular Dynamics, Reactive Force Field

Bladimir Ramos-Alvarado

Associate Professor, Mechanical Engineering
Top research keywords: Proton Exchange Membrane Fuel Cell (PEMFC), Heat Sink, Wettability, Proton-Exchange Membrane Fuel Cells, Thermal Transport

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

Daniel Haworth

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

Linghao Zhong

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

Phillip Savage

Distinguished Professor, Chemical Engineering
Top research keywords: Supercritical Water, Hydrothermal Liquefaction, Chemical Kinetics Characteristics, Biocrude, Gasification

Scott A. Showalter

Professor, Chemistry
Top research keywords: Intrinsically Disordered Proteins, Intrinsically Disordered Protein, C-Terminus, RNA, FCP1

Ying Gu

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

Fernando Soto

Assistant Professor of Energy Engineering, Penn State Greater Allegheny
Top research keywords: Solid Electrolyte Interphase, Density, Hydrogen, Lithium, Density Functional Theory

Christian Huber

Assistant Professor, Biology
Top research keywords: Genetic Divergence, Genomics, Population Genetics, Genetic Variation, Selective Sweep

Kristen Fichthorn

Merrell R. Fenske Professor, Chemical Engineering
Top research keywords: Nanocrystals, Molecular Dynamics Simulation, Density, Nanoparticle, Nanowire

John Mauro

Department Head and Professor, Materials Science and Engineering
Top research keywords: Aluminosilicate, Silicate Glass, Glass Transition Temperature, Oxide Glass, Sodium

Affiliated Researchers: Molecular Dynamics Simulation