Affiliated Researchers: Computational Chemistry

Lorena Tribe

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

Fernando Soto

Assistant Professor of Energy Engineering, Penn State Greater Allegheny
Top research keywords: Surface (Surface Science), Solid Electrolyte, Density, Solid Electrolyte Interphase, Density Functional Theory

Derek Hall

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

Abu Asaduzzaman

Associate Professor of Chemistry, Science, Engineering, & Technology, School of Science, Engineering & Technology (Harrisburg)
Top research keywords: Density, Surface (Surface Science), Adsorption, Electronic Property, Electronic Properties

Karl Mueller

Top research keywords: Nuclear Magnetic Resonance, Magic Angle Spinning, Chemical Shift, Metal Spinning, Solid State

Yun Kyung Shin

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

John Mauro

Professor, Materials Science and Engineering
Top research keywords: Phase Composition, Aluminosilicate, Glass Transition, Glass Transition Temperature, Silicate Glass

Gregory Kelly

Associate Dean, College of Education
Top research keywords: Discourse, Classroom, Engineering, Student, Science Education

Shengxi Huang

Assistant Professor, Electrical Engineering
Top research keywords: Raman Spectroscopy, Raman Scattering, Phonons, Black Phosphorus, Heterojunctions

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

Joshua Robinson

Professor, Materials Science and Engineering
Top research keywords: Graphene, Monolayers, Transition Metal Dichalcogenide, Heterojunction, Two-Dimensional Material

Russell T. Johns

Professor and FCMG Chair in Fluid Behavior and Rock Interactions, John and Willie Leone Department of Energy & Mineral Engineering (EME)
Top research keywords: Oil Recovery, Phase Behavior, Surfactant, Equation Of State, Equations Of State

Sarma Pisupati

Professor, John and Willie Leone Department of Energy & Mineral Engineering (EME)
Top research keywords: Gasification, Fluidized Bed, Pyrolysis, Fluid Viscosity, Agglomeration

Zi-Kui Liu

Professor, Materials Science and Engineering
Top research keywords: First-principles Calculations, Density, Thermodynamics Modeling, Thermodynamic Modeling, Thermodynamic Properties

Shunli Shang

Research Professor, Materials Science and Engineering
Top research keywords: First-principles Calculations, Density, Density Functional Theory, Alloying, Elastic Moduli

Hilal Ezgi Toraman

Assistant Professor, John and Willie Leone Department of Energy & Mineral Engineering (EME)
Top research keywords: Pyrolysis, Two-Dimensional Gas Chromatography, Two Dimensional Gas Chromatography, Bio-Oil, Two-dimensional Gas Chromatography

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

Xiawa Wu

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

Vincent Meunier

Professor, Engineering Science and Mechanics
Top research keywords: Graphene, Nanoribbon, Density, Electronic Properties, Carbon Nanotube