Computational Semiconductor Materials Science, Volume 1370

Recent advances in theory and computational algorithms together with available high-performance computing power have been successfully utilized in the simulation, modeling, optimization, and design of complex materials, especially semiconductor materials. Symposium YY, “Computational Semiconductor Materials Science” held at the April 25—29, 2011 MRS Spring Meeting in San Francisco, California, focused on the theoretical and computational aspects of semiconductor materials and devices. The topics discussed in this symposium cover a broad range from the fundamental theory and computational methods of semiconductor materials to the multi-scale modeling and design of functional semiconductor devices, which include phase change materials, correlated and spintronic materials, photovoltaic and photoelectrochemical materials, spectroscopy of materials, defects in semiconductors, and large scale simulations of alloys, liquids, and amorphous materials. In addition to conventional bulk and thin film semiconductors, electronic and transport properties of carbon nanostructures, transition-metal oxides, and related semiconductor nanostructures are also included.