Computational Thermodynamics and Kinetics of Materials

The Computational Thermodynamics and Kinetics Group in the University of Virginia’s Materials Science and Engineering department is led by Professor Bi-Cheng Zhou. We do application-inspired fundamental research in materials science. Our research areas include computational thermodynamics and kinetics (the CALPHAD method), Ab initio modeling of thermodynamics and diffusion based on density functional theory, physical metallurgy and theoretical modeling of phase transformations in alloys, oxidation and corrosion in high-temperature systems, electrochemical corrosion of alloys.