Molecular Dynamics, Volume 7: From Classical to Quantum Methods Theoretical and Computational Chemistry

Name: Molecular Dynamics, Volume 7: From Classical to Quantum Methods Theoretical and Computational Chemistry
Brand: Elsevier Science
SKU: 23672257
Price: 10185.00 ZAR
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Features

Author	Perla B. Balbuena , J. M. Seminario
Format	Hardcover
ISBN	9780444829108
Publication Date	29/01/2006
Publisher	Elsevier Science
Manufacturer	Elsevier Science

Description

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.

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