Affiliated Researchers: Molecular Dynamics

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

Displaying 48 search result(s) for Molecular Dynamics.

Xiawa Wu


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

Adri van Duin


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

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

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

Scott A. Showalter


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

Mihail Kantor


Assistant Research Professor, Plant Pathology and Environmental Microbiology
Top research keywords: Nematode, Nematodes, Molecular Characterization, Morphological Characterization, Nematoda

Melik Demirel


Professor, Engineering Science and Mechanics
Top research keywords: Film, Superconducting Quantum Interference Device (SQUID), Nanostructures, Tandem Repeat Protein, Poly(p-xylylene)

Phillip Savage


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

Susan Sinnott


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

John Asbury


Professor, Chemistry
Top research keywords: Ultrafast, Organic Photovoltaics, Electron Transport, Excited State, Organic Solar Cells

Fernando Soto


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

Linghao Zhong


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

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

Mansour Solaimanian


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

Ola Rashwan


Associate Professor in Mechanical Engineering, School of Science, Engineering & Technology (Harrisburg)
Top research keywords: Density, Progressive Model, Modeling Approaches, Solar Cell, New Modeling

Shunli Shang


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

Ying Gu


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

Gui Becker


Associate Professor, Biology
Top research keywords: Batrachochytrium Dendrobatidis, Amphibian, Amphibians, Infectious Disease, Infection

Kristen Fichthorn


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

Daniel Haworth


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

Onur Apul


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

Francisco Dini-Andreote


Associate Professor, Plant Science
Top research keywords: Microbiome, Bacterium, Taxon, Microorganism, Bacterial Community

Manuel Llinás


Professor, Biochemistry & Molecular Biology
Top research keywords: Plasmodium Falciparum, Parasite, Plasmodium, Malaria Parasite, Malaria

Yuka Imamura


Associate Professor, Department of Neuroscience and Experimental Therapeutics
Top research keywords: Gene Expression, Carcinogenesis, RNA Sequencing (RNA-seq), Transcriptome, MicroRNA

Jennifer Gray


Assistant Research Professor, Materials Characterization Lab
Top research keywords: Nanostructure, Film, Quantum Dot, SiGe, Ryugu

William Hancock


Professor, Biomedical Engineering
Top research keywords: Kinesin, Microtubules, Processivity, Motility, Processive

Kurt Vandegrift


Associate Research Professor, Biology
Top research keywords: Virus, Severe Acute Respiratory Syndrome Coronavirus 2, Rodents, COVID-19, White-tailed Deer

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

Joseph Najem


Assistant Professor, Mechanical Engineering
Top research keywords: Memristor, Droplet Interface Bilayer, Reservoir Computing, Hydrogel, Biomembranes

John Golbeck


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

Joyce Sakamoto


Assistant Research Professor, Entomology
Top research keywords: Wolbachia, Ixodes Scapularis, I. Scapularis, Wolbachia Infection, Infectious Disease

John Mauro


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

Ming Tien


Professor, Biochemistry & Molecular Biology
Top research keywords: Phanerochaete, Lignin Peroxidase, Manganese Peroxidase, Peroxidase, Lignin

Sergei Koshkin


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

Zachary Bitzer


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

Sally Mackenzie


Lloyd and Dottie Huck Chair for Functional Genomics and Professor, Biology
Top research keywords: Mitochondrial Genome, Arabidopsis, Fertility, Plastids, Male Infertility

Kevin Hockett


Associate Professor, Plant Pathology and Environmental Microbiology
Top research keywords: Pseudomonas Syringae, Bacterium, Pseudomonas, Infectious Agent, Microbiome

Charles Anderson


Professor, Biology
Top research keywords: Cellulose, Pectin, Arabidopsis Thaliana, Arabidopsis, Cell Wall