Affiliated Researchers: Computational Chemistry

Lorena Tribe

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

Susan Sinnott

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

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

Karl Mueller

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

Abu Asaduzzaman

Top research keywords: Adsorption, Atoms, Density Functional Theory, Electronic Property, Electronic Properties

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

Ismaila Dabo

Corning Faculty Fellow Associate Professor of Materials Science and Engineering, Materials Science and Engineering
Top research keywords: Density Functional Theory, Electronic Structure, Transition Metals, Energy, Photocatalysts

Zi-Kui Liu

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

Linghao Zhong

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

Konstantinos Alexopoulos

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

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

Donghyun Rim

Associate Professor, Architectural Engineering
Top research keywords: Ventilation, Ozone, Particle, Air, Indoor Environment

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

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

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

Saurabh Basu

Assistant Professor, Marcus Department of Industrial and Manufacturing Engineering
Top research keywords: Microstructure, Machining, Strain, Plastic Deformation, Textures

Vincent Meunier

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

Claude dePamphilis

Professor, Biology
Top research keywords: Magnoliopsida, Genes, Genome, Gene, Plastids