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

Xiawa Wu

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

Bladimir Ramos-Alvarado

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

Yun Kyung Shin

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

Lorena Tribe

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

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

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

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

Linghao Zhong

Professor of Chemistry, Penn State Mont Alto
Top research keywords: Cellulose, Molecular Dynamics Simulation, Cellulose Surface, Cellulose Nanofibrils, CBH I

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

Serguei Lvov

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

Wesley Reinhart

Assistant Professor in Materials Science and Engineering, Materials Science and Engineering
Top research keywords: Learning System, Machine Learning, Nanochannel, Unsupervised Learning, Inverse Design

Jing Du

Associate Professor, Mechanical Engineering
Top research keywords: Finite Element Method, X-Ray Computed Tomography, Mechanical Testing, Organic Light-emitting Diodes, Density

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

Susan Sinnott

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

Isabella Cattadori

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

Mehrdad Mahdavi

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

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

Michael Janik

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

Timothy Tighe

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

Sarah Assmann

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

Stephen Schaeffer

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

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