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 9 search result(s) for Density Functional Calculations.

Yi Wang

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

Shunli Shang

Research Professor, Materials Science and Engineering
Top research keywords: First-principles Calculations, Density, Alloy, Density Functional Theory, Thermodynamic Properties

Lorena Tribe

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

Nelson Yaw Dzade

Assistant Professor, John and Willie Leone Department of Energy & Mineral Engineering (EME)
Top research keywords: Density, Density Functional Theory, Heterojunction, Adsorption, Photovoltaics

Susan Sinnott

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

Kristen Fichthorn

Merrell R. Fenske Professor, Chemical Engineering
Top research keywords: Nanocrystals, Molecular Dynamics Simulation, Density, Nanowire, Nanoparticle

Michael Janik

Distinguished Professor, Chemical Engineering
Top research keywords: Density Functional Theory, Catalyst, Formation, First Principle, Density Functional Calculations

Zi-Kui Liu

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

Fernando Soto

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

Affiliated Researchers: Density Functional Calculations