Computer Simulation in Chemical Physics

Computer Simulation in Chemical Physics contains the proceedings of a NATO Advanced Study Institute held at CORISA, Alghero, Sardinia, in September 1992. In the five years that have elapsed since the field was last summarized there have been a number of remarkable advances which have significantly expanded the scope of the methods. Good examples are the Car—Parrinello method, which allows the study of materials with itinerant electrons; the Gibbs technique for the direct simulation of liqui...