Affiliated Researchers: Molecular Modeling

Adri van Duin

Distinguished Professor, Mechanical Engineering
Top research keywords: ReaxFF, Surface (Surface Science), Computer Simulation, Molecular Dynamics Simulation, ReaxFF Reactive Force Field

Bladimir Ramos-Alvarado

Associate Professor, Mechanical Engineering
Top research keywords: Flow Distribution, Proton-Exchange Membrane Fuel Cells, Proton Exchange Membrane Fuel Cell (PEMFC), Heat Sink, Computer Simulation

Lorena Tribe

Professor of Chemistry, Division of Science (Berks)
Top research keywords: Computational Chemistry, Surface Complexes, Goethite, Adsorption, Optical Modes

Xiawa Wu

Assistant Professor, Mechanical Engineering, School of Engineering (Behrend)
Top research keywords: Cellulose Nanocrystals, Molecular Dynamics Simulation, Computer Simulation, Cellulose I, Indentation

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

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), Aromatics, Inertinite

Yun Kyung Shin

Associate Research Professor, Mechanical Engineering
Top research keywords: ReaxFF, Surface (Surface Science), ReaxFF Reactive Force Field, Computer Simulation, Force Field

Ola Rashwan

Associate Professor in Mechanical Engineering, School of Science, Engineering & Technology (Harrisburg)
Top research keywords: Progressive Model, Modeling Approach, Solution Algorithm, Halide, New Modeling

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: Cellulose, Molecular Dynamics Simulation, Cellulose Surface, Cellulose Nanofibrils, CBH I

Serguei Lvov

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

Jing Du

Associate Professor, Mechanical Engineering
Top research keywords: Finite Element Method, Organic Light-emitting Diodes, Implant, Mechanical Testing, Crack Growth

Shimin Liu

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

Richard Roush

Executive Special Assistant to Interim Dean, College of Agricultural Sciences
Top research keywords: Bacillus Thuringiensis, Diamondback Moth, Plutella Xylostella, Broccoli, Lepidoptera

Darrell Velegol

Distinguished Professor, Chemical Engineering
Top research keywords: Colloidal Particles, Electrophoresis, Non-uniformity, Colloidal Particle, Doublet

Isabella Cattadori

Associate Professor, Biology
Top research keywords: Helminth, Leporidae, Dynamics, Helminths, Nematode

Mehrdad Mahdavi

Associate Professor, Computer Science and Engineering
Top research keywords: Harmony Search, Neural Network, Optimization Problem, Gradient Descent, Approximation (Algorithm)

Michael Janik

Professor, Chemical Engineering
Top research keywords: Density, Density Functional Theory, Surface (Surface Science), Oxidation Reaction, Density Functional Calculations

Meng Wang

Assistant Professor, John and Willie Leone Department of Energy & Mineral Engineering (EME)
Top research keywords: Anaerobic Co-digestion, Wastewater, Microalgae, Anaerobic Digestion, Wastewater Treatment

Timothy Tighe

Assistant Research Professor, Materials Characterization Lab
Top research keywords: Surface (Surface Science), Self Assembled Monolayer, Methoxy, Monolayers, Self-assembled Monolayer

Robert Rioux

Professor, Chemical Engineering
Top research keywords: Nanoparticle, Platinum, Surface (Surface Science), Hydrogenation, Oxidation Reaction

Costas Maranas

Donald B. Broughton Professor, Chemical Engineering
Top research keywords: Metabolite, Escherichia Coli, Metabolic Pathway, Metabolic Network, Enzyme

Sarah Assmann

Waller Professor, Biology
Top research keywords: Guard Cell, Arabidopsis, Abscisic Acid, G Protein, Heterotrimeric G Protein

Derek Hall

Assistant Professor, John and Willie Leone Department of Energy & Mineral Engineering (EME)
Top research keywords: Copper Chloride, Corrosion Rate, Electrochemical Sensor, Electrolyzer, Electrolysis

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: Microbial Fuel Cell, Biofilm, Reactor, Air-cathode Microbial Fuel Cell, Acetate

Nelson Yaw Dzade

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