| View Larger Image | Molecular Dynamics, Volume 7: From Classical to Quantum Methods (Theoretical and Computational Chemistry) | Hardcoverby Perla Balbuena (Editor), Jorge M. Seminario (Editor)
| List Price: | $517.00 | | | Available: | Usually ships in 24 hours |
| | Binding: | Hardcover | | Publisher: | Elsevier Science | | Edition: | 1st Edition | | Page Count: | 970 Pages | | Publication Date: | May 06, 1999 | | Sales Rank: | 323,218rd |
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EDITORIAL REVIEWS |
Product 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. |
CUSTOMER REVIEWS (Average Customer Rating: 4.0 based on 1 review)
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Increasingly Powerful Simulations by W Boudville (Terra, Sol 3)  4 Stars
January 03, 2004
Molecular dynamics has finally come of age in the last 10 years. Computers are now powerful enough that you can construct ever more realistic simulations of particle-particle interactions.Certainly, since the 1950s, there have been molecular dynamics simulations. But because of severe computational constraints, those might have been in two dimensions or even one. This book goes far beyond those humble beginnings. It describes two and three dimensional spaces wherein the molecules roam. In case you wonder why anyone would treat two dimensional spaces nowadays, keep in mind that a lot of industrial chemistry revolves around catalysis. And this may often be on a solid substrate which might be adequately modelled as flat.Plus, the book describes how you are no longer restricted to just atoms interacting via isotropic van der Waals forces. Now you can use the active unfilled orbitals in atoms and molecules, and build quite complex molecules, some of biological importance, and collide them. Here the quantum mechanics is usually simplified to a semiempirical computation of a potential energy surface for the molecule.Parts of the book also describe simulations of truly quantum systems. Still quite intensive. Here, you are usually restricted to small molecules.
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