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00000cam a2200000 i 4500 |
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ocn173686073 |
| 003 |
OCoLC |
| 005 |
20240504213016.0 |
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m o d |
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071005t20022002caua ob 001 0 eng d |
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|a 162129443
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|a 9780080519982
|q (electronic bk.)
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| 020 |
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|a 0080519989
|q (electronic bk.)
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|a 9786611019747
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|a 661101974X
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|z 9780122673511
|q (alk. paper)
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|q (alk. paper)
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|a (OCoLC)173686073
|z (OCoLC)162129443
|z (OCoLC)507620362
|z (OCoLC)518427147
|z (OCoLC)648306887
|z (OCoLC)961626801
|z (OCoLC)962628346
|z (OCoLC)966182208
|z (OCoLC)988483281
|z (OCoLC)990597788
|z (OCoLC)992093434
|z (OCoLC)1034932491
|z (OCoLC)1035650358
|z (OCoLC)1037710309
|z (OCoLC)1038625550
|z (OCoLC)1055402860
|z (OCoLC)1066578088
|z (OCoLC)1081216391
|z (OCoLC)1153504958
|z (OCoLC)1170709164
|z (OCoLC)1180946003
|z (OCoLC)1228535937
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| 037 |
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|a 89632:89632
|b Elsevier Science & Technology
|n http://www.sciencedirect.com
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| 050 |
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4 |
|a QD461
|b .F86 2002eb
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| 072 |
|
7 |
|a SCI
|x 074000
|2 bisacsh
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| 049 |
|
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|a HCDD
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| 100 |
1 |
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|a Frenkel, Daan,
|d 1948-
|e author.
|1 https://id.oclc.org/worldcat/entity/E39PBJfcPtxxypgf8dtbVWvT73
|
| 245 |
1 |
0 |
|a Understanding molecular simulation :
|b from algorithms to applications /
|c Daan Frenkel, Berend Smit.
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| 250 |
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|a 2nd ed.
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| 264 |
|
1 |
|a San Diego :
|b Academic Press,
|c [2002]
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| 264 |
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4 |
|c ©2002
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| 300 |
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|a 1 online resource (xxii, 638 pages) :
|b illustrations
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| 336 |
|
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|a text
|b txt
|2 rdacontent
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| 337 |
|
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|a computer
|b c
|2 rdamedia
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| 338 |
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|a online resource
|b cr
|2 rdacarrier
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| 490 |
1 |
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|a Computational science series ;
|v 1
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| 520 |
|
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|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.
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| 504 |
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|a Includes bibliographical references (pages 589-617) and index.
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| 505 |
0 |
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|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.
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| 588 |
0 |
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|a Print version record.
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| 650 |
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0 |
|a Intermolecular forces
|x Computer simulation.
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| 650 |
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0 |
|a Molecules
|x Mathematical models.
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| 650 |
|
7 |
|a SCIENCE
|x Physics
|x Atomic & Molecular.
|2 bisacsh
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| 650 |
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7 |
|a Intermolecular forces
|x Computer simulation
|2 fast
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| 650 |
|
7 |
|a Molecules
|x Mathematical models
|2 fast
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| 650 |
1 |
7 |
|a Simulatiemodellen.
|2 gtt
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| 650 |
1 |
7 |
|a Monte Carlo-methode.
|2 gtt
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| 650 |
1 |
7 |
|a Statistische mechanica.
|2 gtt
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| 650 |
1 |
7 |
|a Moleculaire dynamica.
|2 gtt
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| 650 |
1 |
7 |
|a Vrije energie.
|2 gtt
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| 650 |
1 |
7 |
|a Fase-evenwichten.
|2 gtt
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| 650 |
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7 |
|a Forças intermoleculares (simulação computacional)
|2 larpcal
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| 650 |
|
7 |
|a Molécula (modelos matemáticos)
|2 larpcal
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| 650 |
|
7 |
|a Simulação (estatística)
|2 larpcal
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| 655 |
|
7 |
|a dissertations.
|2 aat
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| 655 |
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7 |
|a Academic theses
|2 fast
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| 655 |
|
7 |
|a Academic theses.
|2 lcgft
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| 655 |
|
7 |
|a Thèses et écrits académiques.
|2 rvmgf
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| 700 |
1 |
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|a Smit, Berend,
|d 1962-
|e author.
|1 https://id.oclc.org/worldcat/entity/E39PBJp9tywQ7M4HYx7hHd3fbd
|
| 758 |
|
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|i has work:
|a Understanding Molecular Simulation (Text)
|1 https://id.oclc.org/worldcat/entity/E39PD3H6kHXvVYRt68rg3Kvtx8
|4 https://id.oclc.org/worldcat/ontology/hasWork
|
| 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://ebookcentral.proquest.com/lib/holycrosscollege-ebooks/detail.action?docID=307221
|y Click for online access
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| 903 |
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|a EBC-AC
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| 994 |
|
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|a 92
|b HCD
|