Affiliated Researchers: Density Functional Theory

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

Displaying 9 search result(s) for Density Functional Theory.

Evan Pugh University Professor of Geosciences, Geosciences
Top Research Keywords:
Biomarker, Lipid, Carbon Isotope, Biological Marker, Alkane
Professor, Materials Science and Engineering
Top Research Keywords:
Thermodynamics, Alloy, Phonons, Thermodynamic Property, Thermodynamic Properties
Professor and Kenneth Kuan-Yuo Kuo Early Career Professorship, Mechanical Engineering
Top Research Keywords:
Molecular Dynamics, Field Theory (physics), Simulation, Force, Computer Simulation
Merrell R. Fenske Professor, Chemical Engineering
Top Research Keywords:
Molecular Dynamics, Simulation, Nanocrystals, Surface, Density Functional Theory
Assistant Professor, Agricultural & Biological Engineering
Top Research Keywords:
Lignin, Catalysts, Biomass, Ligands, Depolymerization
Professor, Chemical Engineering
Top Research Keywords:
Density Functional Theory, Adsorption, Catalysts, Oxidation, Surface
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, Ferroelectric Switching
Assistant Professor, Energy and Mineral Engineering
Distinguished Professor, Physics
Top Research Keywords:
Carbon Nanotubes, Nanotubes, Monolayers, Phonons, Graphene