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 6 search result(s) for First-principles Study.

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: Density, First-principles Calculations, Density Functional Theory, Alloying, Thermodynamic Properties

Zi-Kui Liu

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

Vincent Meunier

Professor, Engineering Science and Mechanics
Top research keywords: Graphene, Nanoribbon, Density, Electronic Properties, Carbon Nanotube

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

Nelson Yaw Dzade

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

Affiliated Researchers: First-principles Study