Molecular Dynamics —— From Classical to Quantum Methods

----- 分子动力学：从经典方法到量子方法

ISBN: 9780444829108 出版年：1999 页码：337 Elsevier Science_Series

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).Features of this book: ?Presents advances in methodologies, introduces quantum methods and lists new techniques for classical MD ?Deals with complex systems: biomolecules, aqueous solutions, ice and clathrates, liquid crystals, polymers ?Provides chemical reactions, interfaces, catalysis, surface phenomena and solidsAlthough 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.