Affiliated Researchers: First-principles

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, Elastic Moduli, Thermodynamic Properties, Alloying

Zi-Kui Liu

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

Kristen Fichthorn

Merrell R. Fenske Professor, Chemical Engineering
Top research keywords: Surface (Surface Science), Density, Molecular Dynamics Simulation, Computer Simulation, Nanowire

Ola Rashwan

Associate Professor in Mechanical Engineering, School of Science, Engineering & Technology (Harrisburg)
Top research keywords: Progressive Model, Modeling Approach, Solution Algorithm, Halide, New Modeling

Vincent Meunier

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

Abu Asaduzzaman

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

Susan Sinnott

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

Allison Beese

Professor, Materials Science and Engineering
Top research keywords: Three Dimensional Printing, Additive Manufacturing, Ti-6Al-4V (Ti64), Ti-6Al-4V, Ti-6al-4v

Konstantinos Alexopoulos

Assistant Research Professor, Chemical Engineering
Top research keywords: ZSM-5, Microkinetic Modeling, Single-atom Catalysts, Butene, Formation

Fernando Soto

Assistant Professor of Energy Engineering, Penn State Greater Allegheny
Top research keywords: Surface (Surface Science), Solid Electrolyte, Density, Solid Electrolyte Interphase, Density Functional Theory

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

Vincent Crespi

Distinguished Professor, Physics
Top research keywords: Carbon Nanotube, Monolayers, Nanotube, Graphene, Single Crystal