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Titre : |
Understanding molecular simulation: From algorithms to applications |
Type de document : |
texte imprimé |
Auteurs : |
Daan Frenkel ; Berend Smit |
Mention d'édition : |
Second edition |
Editeur : |
San Diego : Academic Press |
Année de publication : |
2002 |
Importance : |
xxii, 638 p. |
ISBN/ISSN/EAN : |
978-0-12-267351-1 |
Langues : |
Anglais (eng) |
Tags : |
MOLECULES MODELS COMPUTER SIMULATION |
Index. décimale : |
EQ -Equipe- |
Résumé : |
"Understanding Molecular Simulation: From Algorithms to Applications 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. A wide variety of tools exist, so 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." |
Cote : |
LCC/RX |
Num_Inv : |
2720 |
Understanding molecular simulation: From algorithms to applications [texte imprimé] / Daan Frenkel ; Berend Smit . - Second edition . - San Diego : Academic Press, 2002 . - xxii, 638 p. ISBN : 978-0-12-267351-1 Langues : Anglais ( eng)
Tags : |
MOLECULES MODELS COMPUTER SIMULATION |
Index. décimale : |
EQ -Equipe- |
Résumé : |
"Understanding Molecular Simulation: From Algorithms to Applications 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. A wide variety of tools exist, so 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." |
Cote : |
LCC/RX |
Num_Inv : |
2720 |
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