Understanding Molecular Simulation: From Algorithmus to Application

Daan Frenkel, Berend Smit

ISBN 10: 0122673700 / ISBN 13: 9780122673702

Editore: Academic Press, 1996

Riguardo questo articolo

444 Seiten; Content: This book explains the physics behind the "recipes" of molecular simulation for materials science. Examples are included that highlight current applications, and the codes of the case studies are available on the World Wide Web. No prior knowledge of computer simulation is assumed. Size: 23,5 m. Codice articolo 000015

Dati bibliografici

Titolo: Understanding Molecular Simulation: From ...

Casa editrice: Academic Press

Data di pubblicazione: 1996

Legatura: Hardcover

Condizione: gut

Descrizione articolo

Riassunto:

Computer simulation techniques have become almost essential in the study of the macro-molecular phenomena and phase behaviour on the molecular level. As these techniques become increasingly important, it is necessary to realize that they are useful tools, but are not the goals of research. With this distinction in mind, this work describes simulation techniques along with the physics behind the phenomena that these techniques simulate. Each chapter comprises three components - the general theoretical basis, an outline of the necessary computer code, and a few applications which illustrate the use of the technique demonstrated. The chapters also include examples of the typical practical problems that could be solved using each technique.

Product Description:

Book by Frenkel Daan Smit B