Affiliated Researchers: Molecular Dynamics Study

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

Displaying 20 search result(s) for Molecular Dynamics Study.

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

Adri van Duin


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

Malgorzata Kowalik


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

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

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

Linghao Zhong


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

Phillip Savage


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

Daniel Haworth


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

Shunli Shang


Research Professor, Materials Science and Engineering
Top research keywords: First-principles Calculations, Alloy, Density, Density Functional Theory, Thermodynamic Properties

Mansour Solaimanian


Associate Research Professor, Larson Pennsylvania Transportation Institute
Top research keywords: Asphalt Concrete, Pavement, Asphalt Mixture, Reclaimed Asphalt Pavement, Superpave

Kristen Fichthorn


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

Onur Apul


Associate Professor, Civil and Environmental Engineering
Top research keywords: Adsorption, Polyfluoroalkyl Substances, Carbon Nanotube, Graphene, Microbubbles

Jon-Paul Maria


Professor of Materials Science and Engineering, Materials Science and Engineering
Top research keywords: Thin Films, Film, Oxide Compound, Ferroelectric Material, Dielectric Material

John Golbeck


Professor, Biochemistry & Molecular Biology
Top research keywords: Photosystem I Protein Complex, Electrons, Sulfur, Iron, Phylloquinone

Zachary Bitzer


Assistant Professor, Department of Public Health Sciences
Top research keywords: Free Radical, Free Radicals, Electronic Cigarette, Cigarette, Nicotine

Sergei Koshkin


Assistant Research Professor, Huck Institutes of the Life Sciences
Top research keywords: Lipophilic, Transport Properties, Membrane Transport, Transport Property, Gut Microbiota

John Mauro


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

Tracy Langkilde


Verne M. Willaman Dean, Eberly College of Science
Top research keywords: Lizard, Fences, Fire Ant, Fire Ants, Eastern Fence Lizard