Affiliated Researchers: Molecular Modeling

Adri van Duin

Distinguished Professor, Mechanical Engineering
Top research keywords: Molecular Dynamics, Field Theory (physics), Simulation, Force, Computer Simulation

Bladimir Ramos-Alvarado

Associate Professor, Mechanical Engineering
Top research keywords: Liquids, Proton Exchange Membrane Fuel Cells (PEMFC), Heat Sinks, Wettability, Fuel Cells

Lorena Tribe

Professor of Chemistry, Division of Science (Berks)
Top research keywords: Computational Chemistry, Glyphosate, Montmorillonite, Sodium Chloride, Chemistry

Jonathan Mathews

Professor, John and Willie Leone Department of Energy & Mineral Engineering (EME)
Top research keywords: Coal, Bituminous Coal, Molecules, Simulation, Vitrinite

Daniel Haworth

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

Stefan Thynell

Professor, Mechanical Engineering
Top research keywords: Thermolysis, Decomposition, Propellants, Radiation, RDX

Xiawa Wu

Assistant Professor, Mechanical Engineering, School of Engineering (Behrend)
Top research keywords: Cellulose Nanocrystals, Cellulose, Molecular Dynamics, Nanocrystal, Crystalline Materials

Linghao Zhong

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

Jing Du

Associate Professor, Mechanical Engineering
Top research keywords: Bone, Implant, Strain, Tooth, Bone And Bones

Ola Rashwan

Associate Professor in Mechanical Engineering, School of Science, Engineering & Technology (Harrisburg)
Top research keywords: Solar Cells, Perovskite, Thin Film Solar Cells, Lead, Electronic Properties

Serguei Lvov

Professor, John and Willie Leone Department of Energy & Mineral Engineering (EME)
Top research keywords: Membranes, Corrosion, Temperature, Protons, Corrosion Rate

Yun Kyung Shin

Associate Research Professor, Mechanical Engineering
Top research keywords: Force, Simulation, Field Theory (physics), Molecular Dynamics, Silica

Shimin Liu

Professor, John and Willie Leone Department of Energy & Mineral Engineering (EME)
Top research keywords: Coal, Coal Bed Methane, Shale, Sorption, Methane

Richard Roush

Executive Special Assistant to Interim Dean, College of Agricultural Sciences
Top research keywords: Bacillus Thuringiensis, Insecta, Plutella Xylostella, Insecticides, Moths

Darrell Velegol

Distinguished Professor, Chemical Engineering
Top research keywords: Electrophoresis, Polystyrenes, Force, Sphere, Colloids

Susan Sinnott

Department Head and Professor, Materials Science and Engineering
Top research keywords: Molecular Dynamics, Simulation, Many-Body Potential, Density Functional Theory, Computer Simulation

Isabella Cattadori

Associate Professor, Biology
Top research keywords: Helminths, Parasites, Myxoma Virus, Rabbits, Infections

Mehrdad Mahdavi

Associate Professor, Computer Science and Engineering
Top research keywords: Harmony Search, Random Projection, Convex Optimization, Clustering Algorithms, Sketching

Michael Janik

Professor, Chemical Engineering
Top research keywords: Density Functional Theory, Adsorption, Catalysts, Oxidation, Surface

Meng Wang

Assistant Professor, John and Willie Leone Department of Energy & Mineral Engineering (EME)
Top research keywords: Algae, Waste Water, Wastewater, Digestion, Microalgae

Timothy Tighe

Assistant Research Professor, Materials Characterization Lab
Top research keywords: Self Assembled Monolayers, Monolayers, Self Assembled Monolayer, Atoms, Monolayer

Robert Rioux

Professor, Chemical Engineering
Top research keywords: Catalysts, Nanoparticles, Hydrogenation, Adsorption, Silica

Sarah Assmann

Waller Professor, Biology
Top research keywords: Arabidopsis, Abscisic Acid, Guard Cells, Heterotrimeric GTP-Binding Proteins, GTP-Binding Proteins

Costas Maranas

Donald B. Broughton Professor, Chemical Engineering
Top research keywords: Metabolic, Genomics, Genome, Escherichia Coli, Fluxes

Derek Hall

Assistant Research Professor, John and Willie Leone Department of Energy & Mineral Engineering (EME)
Top research keywords: Electrodes, Electrochemical Sensors, Corrosion, Membranes, Electrochemical Impedance Spectroscopy

Stephen Schaeffer

Professor, Biology
Top research keywords: Drosophila, Gene Order, Drosophila Pseudoobscura, Chromosome Inversion, Chromosomes

John (Jay) Regan

Professor of Environmental Engineering, Civil and Environmental Engineering
Top research keywords: Bioelectric Energy Sources, Microbial Fuel Cells, Fuel Cell, Electrodes, Cathodes

Nelson Yaw Dzade

Assistant Professor, John and Willie Leone Department of Energy & Mineral Engineering (EME)
Top research keywords: Density Functional Theory, Adsorption, Hydrogen Evolution Reaction, Surface, Nanorods