Computational Materials Science: From Ab Initio to Monte Carlo Methods

There has been much progress in the computational approaches in the field of materials science during the past two decades. In particular, computer simulation has become a very important tool in this field since it is a bridge between theory, which is often limited by its oversimplified models, and experiment, which is limited by the physical parameters. Computer simulation, on the other hand, can partially fulfill both of these paradigms, since it is based on theories and is in fact perfor...