Affiliated Researchers: Computational Chemistry

Lorena Tribe

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

Fernando Soto

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

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

Susan Sinnott

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

Joshua Robinson

Professor, Materials Science and Engineering
Top research keywords: Graphene, Monolayers, Transition Metals, Heterojunctions, Monolayer

Karl Mueller

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

Gregory Kelly

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

Abu Asaduzzaman

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

Shengxi Huang

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

Linghao Zhong

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

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: Phase Behavior, Oils, Solubility, Recovery, Microemulsions

Aida Ebrahimi

Associate Professor, School of Electrical Engineering and Computer Science
Top research keywords: Silicon, Sensors, Hydrogenation, Graphene, Substrates

Konstantinos Alexopoulos

Assistant Research Professor, Chemical Engineering
Top research keywords: Catalysts, Dehydration, Butenes, Catalyst, Zeolites

Sarma Pisupati

Professor, John and Willie Leone Department of Energy & Mineral Engineering (EME)
Top research keywords: Coal, Gasification, Ashes, Fluidized Bed, Fluidized Beds

Istvan Albert

Professor, Biochemistry & Molecular Biology
Top research keywords: Genome, Jamming, Granular Media, Microbiota, Drag

Yun Kyung Shin

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

Adri van Duin

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

Hilal Ezgi Toraman

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

Xiawa Wu

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

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

Zi-Kui Liu

Professor, Materials Science and Engineering
Top research keywords: Thermodynamics, Alloy, Phonons, Thermodynamic Property, Thermodynamic Properties

Vincent Meunier

Professor, Engineering Science and Mechanics
Top research keywords: Nanoribbon, Electronic Properties, Graphene Nanoribbon, Graphene, Density Functional Theory

Guha Manogharan

Associate Professor, Mechanical Engineering
Top research keywords: 3D Printers, Additive, Printing, Sand, Casting