Fri, 02/20/2015 - 09:42 -- Anonymous (not verified)

Our research focuses on using computer simulations and materials modeling methods, often in combination with advanced materials characterizations, to understand the structure and structural origin of properties of materials with complex structures. He is interested in studies of glasses, ceramics, and nanostructured materials, as well as defects, surfaces and interfaces in these materials with microelectronic, energy, environmental, and biomedical applications. His current interests include bioactive glasses, nuclear waste glasses, glass corrosion, solid state electrolytes, low-k dielectrics, and electronic ceramics.

We use atomistic computer simulation methods such as classical and ab initio molecular dynamics simulations, first principles calculations, and Monte Carlo simulations. He is interested in developing empirical potentials for the modeling of oxide glass/ceramics and related materials, developing Monte Carlo and Kinetic Monte Carlo methods to study complex structures and chemical reactions. His computational and modeling investigations are usually integrated with experimental studies, either in his own group or with collaborators. He is also interested in applying Integrated Computational Material Engineering (ICME) and Materials Genome based approaches in material discovery and material design.


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