Understanding molecular simulation
from algorithms to applications
by Daan Frenkel
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This book explains the physics behind the "recipes" of molecular simulation for materials science. Computer simulators are continuously confronted with questions concerning the choice of a particular technique for a given application. Since a wide variety of computational tools exists, the choice of technique requires a good understanding of the basic principles. More importantly, such understanding may greatly improve the efficiency of a simulation program.
The implementation of simulation methods is illustrated in pseudocodes and their practical use in the case studies used in the text. 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.
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Subjects
Mathematical models, Computer simulation, Intermolecular forces, Molecules, Engineering (general), Chemical & biochemical, Biotechnology, Mathematical & computational, General, Biological sciences & nutrition -> biology -> biotechnology, Professional, career & trade -> engineering -> chemical engineering, Physical & earth sciences -> physics -> general, Physical & earth sciences -> physics -> mathematical physics, Intermolecular forces--computer simulation, Molecules--mathematical models, Qd461 .f86 1996, 539.6/01/13Showing 2 featured editions. View all 2 editions?
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1
Understanding molecular simulation: from algorithms to applications
2002, Academic Press
in English
- 2nd ed.
0122673514 9780122673511
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2
Understanding molecular simulation: from algorithms to applications
1996, Academic Press
in English
0122673700 9780122673702
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Book Details
Edition Notes
Includes bibliographical references (p. [589]-617) and index.
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