Affiliated Researchers | Institute of Energy and the Environment

Affiliates are Penn Staters who have a connection to or an interest in the work of the Institute of Energy and the Environment.

Displaying 19 search result(s) for Density Functional Theory.

Lorena Tribe

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

Yi Wang

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

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

Vincent Meunier

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

Kristen Fichthorn

Merrell R. Fenske Professor, Chemical Engineering
Top research keywords: Molecular Dynamics, Simulation, Nanocrystals, Surface, Density Functional Theory

Robert Rioux

Professor, Chemical Engineering
Top research keywords: Catalysts, Nanoparticles, Hydrogenation, Adsorption, Silica

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

Ola Rashwan

Associate Professor in Mechanical Engineering, School of Science, Engineering & Technology (Harrisburg)
Top research keywords: Solar Cells, Perovskite, Thin Film Solar Cells, Lead, Electronic Properties

Adri van Duin

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

Konstantinos Alexopoulos

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

Fernando Soto

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

Shunli Shang

Research Professor, Materials Science and Engineering
Top research keywords: Phonons, Phonon, Thermodynamics, Alloy, Density Functional Theory

Stephen Chmely

Assistant Professor, Agricultural & Biological Engineering
Top research keywords: Lignin, Catalysts, Biomass, Stereolithography, Ligands

Susan Sinnott

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

Michael Janik

Professor, Chemical Engineering
Top research keywords: Density Functional Theory, Adsorption, Catalysts, Oxidation, Surface

Zi-Kui Liu

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

Sridhar Komarneni

Distinguished Professor, Ecosystem Science and Management
Top research keywords: Microwaves, Hydrothermal Synthesis, Gels, Positive Ions, Nanocomposites

Katherine Freeman

Evan Pugh University Professor of Geosciences, Geosciences
Top research keywords: Biomarker, Lipid, Carbon Isotope, Biological Marker, Alkane

Vincent Crespi

Distinguished Professor, Physics
Top research keywords: Carbon Nanotubes, Monolayers, Nanotubes, Phonons, Graphene

Affiliated Researchers: Density Functional Theory