Understanding molecular simulation: from algorithms to applications
Gespeichert in:
1. Verfasser: | |
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Format: | Elektronisch E-Book |
Sprache: | English |
Veröffentlicht: |
San Diego
Academic Press
© 2002
|
Ausgabe: | 2nd ed |
Schriftenreihe: | Computational science (San Diego, Calif.)
|
Schlagworte: | |
Online-Zugang: | FAW01 FUBA1 UER01 Volltext |
Beschreibung: | Includes bibliographical references (pages 589-617) and index 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 |
Beschreibung: | 1 Online-Ressource (xxii, 638 pages) |
ISBN: | 9780080519982 |
Internformat
MARC
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Datensatz im Suchindex
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any_adam_object | |
author | Frenkel, Daan 1948- |
author_GND | (DE-588)13372302X (DE-588)133723046 |
author_facet | Frenkel, Daan 1948- |
author_role | aut |
author_sort | Frenkel, Daan 1948- |
author_variant | d f df |
building | Verbundindex |
bvnumber | BV042311085 |
classification_rvk | ST 340 UM 3100 VC 6300 |
collection | ZDB-33-ESD ZDB-33-EBS |
ctrlnum | (OCoLC)890552742 (DE-599)BVBBV042311085 |
dewey-full | 539/.6/0113 |
dewey-hundreds | 500 - Natural sciences and mathematics |
dewey-ones | 539 - Modern physics |
dewey-raw | 539/.6/0113 |
dewey-search | 539/.6/0113 |
dewey-sort | 3539 16 3113 |
dewey-tens | 530 - Physics |
discipline | Chemie / Pharmazie Physik Informatik |
edition | 2nd ed |
format | Electronic eBook |
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id | DE-604.BV042311085 |
illustrated | Not Illustrated |
indexdate | 2024-07-10T01:18:04Z |
institution | BVB |
isbn | 9780080519982 |
language | English |
oai_aleph_id | oai:aleph.bib-bvb.de:BVB01-027748077 |
oclc_num | 890552742 |
open_access_boolean | |
owner | DE-1046 DE-19 DE-BY-UBM DE-188 DE-29 |
owner_facet | DE-1046 DE-19 DE-BY-UBM DE-188 DE-29 |
physical | 1 Online-Ressource (xxii, 638 pages) |
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publishDate | 2002 |
publishDateSearch | 2002 |
publishDateSort | 2002 |
publisher | Academic Press |
record_format | marc |
series2 | Computational science (San Diego, Calif.) |
spelling | Frenkel, Daan 1948- Verfasser (DE-588)13372302X aut Understanding molecular simulation from algorithms to applications Daan Frenkel, Berend Smit 2nd ed San Diego Academic Press © 2002 1 Online-Ressource (xxii, 638 pages) txt rdacontent c rdamedia cr rdacarrier Computational science (San Diego, Calif.) Includes bibliographical references (pages 589-617) and index 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 Intermolecular forces / Computer simulation. Molecules / Mathematical models Forces intermoléculaires / Simulation par ordinateur Molécules / Modèles mathématiques SCIENCE / Physics / Atomic & Molecular bisacsh Intermolecular forces / Computer simulation fast Molecules / Mathematical models fast Simulatiemodellen gtt Monte Carlo-methode gtt Statistische mechanica gtt Moleculaire dynamica gtt Vrije energie gtt Fase-evenwichten gtt Forças intermoleculares (simulação computacional) larpcal Molécula (modelos matemáticos) larpcal Simulação (estatística) larpcal Mathematisches Modell Intermolecular forces Computer simulation Molecules Mathematical models Computersimulation (DE-588)4148259-1 gnd rswk-swf Molekül (DE-588)4039972-2 gnd rswk-swf Statistische Physik (DE-588)4057000-9 gnd rswk-swf Zwischenmolekulare Kraft (DE-588)4191346-2 gnd rswk-swf Monte-Carlo-Simulation (DE-588)4240945-7 gnd rswk-swf Electronic books Statistische Physik (DE-588)4057000-9 s Computersimulation (DE-588)4148259-1 s Molekül (DE-588)4039972-2 s 1\p DE-604 Zwischenmolekulare Kraft (DE-588)4191346-2 s 2\p DE-604 Monte-Carlo-Simulation (DE-588)4240945-7 s 3\p DE-604 Smit, Berend 1962- Sonstige (DE-588)133723046 oth Erscheint auch als Druck-Ausgabe 978-0-12-267351-1 http://www.sciencedirect.com/science/book/9780122673511 Verlag URL des Erstveröffentlichers Volltext 1\p cgwrk 20201028 DE-101 https://d-nb.info/provenance/plan#cgwrk 2\p cgwrk 20201028 DE-101 https://d-nb.info/provenance/plan#cgwrk 3\p cgwrk 20201028 DE-101 https://d-nb.info/provenance/plan#cgwrk |
spellingShingle | Frenkel, Daan 1948- Understanding molecular simulation from algorithms to applications Intermolecular forces / Computer simulation. Molecules / Mathematical models Forces intermoléculaires / Simulation par ordinateur Molécules / Modèles mathématiques SCIENCE / Physics / Atomic & Molecular bisacsh Intermolecular forces / Computer simulation fast Molecules / Mathematical models fast Simulatiemodellen gtt Monte Carlo-methode gtt Statistische mechanica gtt Moleculaire dynamica gtt Vrije energie gtt Fase-evenwichten gtt Forças intermoleculares (simulação computacional) larpcal Molécula (modelos matemáticos) larpcal Simulação (estatística) larpcal Mathematisches Modell Intermolecular forces Computer simulation Molecules Mathematical models Computersimulation (DE-588)4148259-1 gnd Molekül (DE-588)4039972-2 gnd Statistische Physik (DE-588)4057000-9 gnd Zwischenmolekulare Kraft (DE-588)4191346-2 gnd Monte-Carlo-Simulation (DE-588)4240945-7 gnd |
subject_GND | (DE-588)4148259-1 (DE-588)4039972-2 (DE-588)4057000-9 (DE-588)4191346-2 (DE-588)4240945-7 |
title | Understanding molecular simulation from algorithms to applications |
title_auth | Understanding molecular simulation from algorithms to applications |
title_exact_search | Understanding molecular simulation from algorithms to applications |
title_full | Understanding molecular simulation from algorithms to applications Daan Frenkel, Berend Smit |
title_fullStr | Understanding molecular simulation from algorithms to applications Daan Frenkel, Berend Smit |
title_full_unstemmed | Understanding molecular simulation from algorithms to applications Daan Frenkel, Berend Smit |
title_short | Understanding molecular simulation |
title_sort | understanding molecular simulation from algorithms to applications |
title_sub | from algorithms to applications |
topic | Intermolecular forces / Computer simulation. Molecules / Mathematical models Forces intermoléculaires / Simulation par ordinateur Molécules / Modèles mathématiques SCIENCE / Physics / Atomic & Molecular bisacsh Intermolecular forces / Computer simulation fast Molecules / Mathematical models fast Simulatiemodellen gtt Monte Carlo-methode gtt Statistische mechanica gtt Moleculaire dynamica gtt Vrije energie gtt Fase-evenwichten gtt Forças intermoleculares (simulação computacional) larpcal Molécula (modelos matemáticos) larpcal Simulação (estatística) larpcal Mathematisches Modell Intermolecular forces Computer simulation Molecules Mathematical models Computersimulation (DE-588)4148259-1 gnd Molekül (DE-588)4039972-2 gnd Statistische Physik (DE-588)4057000-9 gnd Zwischenmolekulare Kraft (DE-588)4191346-2 gnd Monte-Carlo-Simulation (DE-588)4240945-7 gnd |
topic_facet | Intermolecular forces / Computer simulation. Molecules / Mathematical models Forces intermoléculaires / Simulation par ordinateur Molécules / Modèles mathématiques SCIENCE / Physics / Atomic & Molecular Intermolecular forces / Computer simulation Molecules / Mathematical models Simulatiemodellen Monte Carlo-methode Statistische mechanica Moleculaire dynamica Vrije energie Fase-evenwichten Forças intermoleculares (simulação computacional) Molécula (modelos matemáticos) Simulação (estatística) Mathematisches Modell Intermolecular forces Computer simulation Molecules Mathematical models Computersimulation Molekül Statistische Physik Zwischenmolekulare Kraft Monte-Carlo-Simulation |
url | http://www.sciencedirect.com/science/book/9780122673511 |
work_keys_str_mv | AT frenkeldaan understandingmolecularsimulationfromalgorithmstoapplications AT smitberend understandingmolecularsimulationfromalgorithmstoapplications |