The latest developments in quantum and classical molecular dynamics, related techniques, and their applications to several fields of science and engineering. Molecular simulations include a broad range of methodologies such as Monte Carlo, Brownian dynamics, lattice dynamics, and molecular dynamics (MD).<P>Features of this book:<P>&bull; Presents advances in methodologies, introduces quantum methods and lists new techniques for classical MD<P>&bull; Deals with complex systems: biomolecules, aqueous solutions, ice and clathrates, liquid crystals, polymers<P>&bull; Provides chemical reactions, interfaces, catalysis, surface phenomena and solids<P>Although the book is not formally divided into methods and applications, the chapters are arranged starting with those that discuss new algorithms, methods and techniques, followed by several important applications.