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Understanding molecular simulation : from algorithms to applications /
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 applicatio...
| Clasificación: | Libro Electrónico |
|---|---|
| Autores principales: | , |
| Formato: | Electrónico eBook |
| Idioma: | Inglés |
| Publicado: |
San Diego :
Academic Press,
[2002]
|
| Edición: | 2nd ed. |
| Colección: | Computational science (San Diego, Calif.)
|
| Temas: | |
| Acceso en línea: | Texto completo |
MARC
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| 037 | |a 89632:89632 |b Elsevier Science & Technology |n http://www.sciencedirect.com | ||
| 050 | 4 | |a QD461 |b .F86 2002eb | |
| 072 | 7 | |a SCI |x 074000 |2 bisacsh | |
| 082 | 0 | 4 | |a 539/.6/0113 |2 22 |
| 049 | |a UAMI | ||
| 100 | 1 | |a Frenkel, Daan, |d 1948- |e author. | |
| 245 | 1 | 0 | |a Understanding molecular simulation : |b from algorithms to applications / |c Daan Frenkel, Berend Smit. |
| 250 | |a 2nd ed. | ||
| 264 | 1 | |a San Diego : |b Academic Press, |c [2002] | |
| 264 | 4 | |c ©2002 | |
| 300 | |a 1 online resource (xxii, 638 pages) : |b illustrations | ||
| 336 | |a text |b txt |2 rdacontent | ||
| 337 | |a computer |b c |2 rdamedia | ||
| 338 | |a online resource |b cr |2 rdacarrier | ||
| 490 | 1 | |a Computational science series ; |v 1 | |
| 520 | |a 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. | ||
| 504 | |a Includes bibliographical references (pages 589-617) and index. | ||
| 505 | 0 | |a Statistical mechanics -- Monte Carlo simulations -- Molecular dynamics simulations -- Monte Carlo simulations in various ensembles -- Molecular dynamics in various ensembles -- Free energy calculations -- The Gibbs ensemble -- Other methods to study coexistence -- Free energies of solids -- Free energy of chain molecules -- Long-range interactions -- Biased Monte Carlo schemes -- Accelerating Monte Carlo sampling -- Tackling time-scale problems -- Rare events -- Dissipative particle dynamics. | |
| 588 | 0 | |a Print version record. | |
| 590 | |a eBooks on EBSCOhost |b EBSCO eBook Subscription Academic Collection - Worldwide | ||
| 650 | 0 | |a Intermolecular forces |x Computer simulation. | |
| 650 | 0 | |a Molecules |x Mathematical models. | |
| 650 | 6 | |a Forces intermoléculaires |x Simulation par ordinateur. | |
| 650 | 6 | |a Molécules |x Modèles mathématiques. | |
| 650 | 7 | |a SCIENCE |x Physics |x Atomic & Molecular. |2 bisacsh | |
| 650 | 7 | |a Intermolecular forces |x Computer simulation |2 fast | |
| 650 | 7 | |a Molecules |x Mathematical models |2 fast | |
| 650 | 1 | 7 | |a Simulatiemodellen. |2 gtt |
| 650 | 1 | 7 | |a Monte Carlo-methode. |2 gtt |
| 650 | 1 | 7 | |a Statistische mechanica. |2 gtt |
| 650 | 1 | 7 | |a Moleculaire dynamica. |2 gtt |
| 650 | 1 | 7 | |a Vrije energie. |2 gtt |
| 650 | 1 | 7 | |a Fase-evenwichten. |2 gtt |
| 650 | 7 | |a Forças intermoleculares (simulação computacional) |2 larpcal | |
| 650 | 7 | |a Molécula (modelos matemáticos) |2 larpcal | |
| 650 | 7 | |a Simulação (estatística) |2 larpcal | |
| 700 | 1 | |a Smit, Berend, |d 1962- |e author. | |
| 776 | 0 | 8 | |i Print version: |a Frenkel, Daan, 1948- |t Understanding molecular simulation. |b 2nd ed. |d San Diego : Academic Press, ©2002 |z 0122673514 |z 9780122673511 |w (DLC) 2001091477 |w (OCoLC)47901441 |
| 830 | 0 | |a Computational science (San Diego, Calif.) | |
| 856 | 4 | 0 | |u https://ebsco.uam.elogim.com/login.aspx?direct=true&scope=site&db=nlebk&AN=203101 |z Texto completo |
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