Molecular Dynamics Simulations: Proceedings of the 13th Taniguchi Symposium Kashikojima, Japan, November 6-9, 1990 (Springer Series in Solid-State Sciences)

The possibilities of molecular dynamcis (MD) simulations have recently been greatly extended by the development of new methods and by rapid advances in computers. DM simulations show great potential in condensed matter physics, where their success is not confined to numerical aspectsof detailed analysis of physical systems; MD simulations have not verified same unexpected facts and introduced concepts that had been predicted previously from analytical theories. Molecular Dynamics Simulations details the current status of this field and investigates possible ways of increasing the efficiency of the silmulations and broadening the range ofapplicability of molecular dynamics techniques. The contributions, which areall written by leading researchers who have played major roles in developing the new simulation methods appearing in the last few years, range from background reviews to reports of recent research on supercooled liquid and glass transitions, oxides and multi-component materials fluids, and ab initio molecular dynamics simulations.