Computational Materials Science and Application is an introduction level course for seniors and graduate students who are interested in knowing the basics and recent development in the field of computational materials science and applications. The course covers fundamentals of ab intio calculations, molecular dynamics, Monte Carlo methods, and multiscale modeling approaches. Applications and case studies are also an integral part of this course, including phase transitions, fracture mechanics, transport properties, thermodynamic properties, surface and interface phenomena, and materials design. Recent development and applications in nanoscale science and non-equilibrium systems will also be reviewed.
The goal of this course is to let students understand the basic principles of computational materials science, and if time permits, have a hands-on experience with various calculations.
Professor Mo Li received his Ph.D. in applied physics in 1994 from California Institute of Technology. After a brief staying as a postdoctoral fellow at Caltech and the Argonne National Laboratory, he joint Morgan Stanley & Co. in New York. From 1998 to 2001 he was an assistant professor at the Johns Hopkins University. Currently he is an associate professor at Georgia Institute of Technology.
Professor Li's research focuses on understanding fundamental properties and processes of materials, and predicting material behaviors. His current research areas include phase transitions, glass transition, mechanical and magnetic properties in solids and liquids. The material systems that he studies are (1) Nanoscale materials, (2) Metallic glasses, and (3) Equilibrium and metastable liquids. These systems are characterized by metastability, lack of long-range order, and high degrees of disorder. The unique difficulties presented in these materials challenge the conventional approaches developed for systems at equilibrium, with long-range order or nearly perfect or free of defects. To address the difficulties, his research employs theoretical and, in particular, computational methods. The primary purpose of the computational approach is to search for information about the basic processes, mechanisms, and properties of these materials that are difficult or impossible to get by experiment alone, and to test and validate ideas and concepts for theoretical models.
The approaches used in his research are a blend of those from statistical physics, solid state physics, materials science, metallurgy, mechanics and computational methods. His research focuses on algorithm development, simulation, and theoretical analysis.