rdf-syntax-grammar
mods:
  schema location: http://www.loc.gov/mods/v3 http://www.loc.gov/standards/mods/v3/mods-3-2.xsd
  title info:
    title: Understanding molecular simulation
    sub title: from algorithms to applications
  name:
    name part: Frenkel, Daan
    name part: 1948-
    role:
      role term: creator
    role:
      role term: author.
  name:
    name part: Smit, Berend
    name part: 1962-
    role:
      role term: author.
  name:
    name part: ScienceDirect (Online service)
  type of resource: text
  genre: bibliography
  genre: Electronic books.
  genre: dissertations.
  genre: Academic theses
  genre: Academic theses.
  genre: Thèses et écrits académiques.
  origin info:
    place:
      place term: cau
    date issued: 2002
    copyright date: 2002
    edition: 2nd ed.
    issuance: monographic
  language:
    language term: eng
  physical description:
    form: remote
    extent: 1 online resource (xxii, 638 pages) : illustrations
  abstract: 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.
  table of contents: 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.
  note: Daan Frenkel, Berend Smit.
  note: Includes bibliographical references (pages 589-617) and index.
  subject:
    topic: Intermolecular forces
    topic: Computer simulation
  subject:
    topic: Molecules
    topic: Mathematical models
  subject:
    topic: Forces intermoléculaires
    topic: Simulation par ordinateur
  subject:
    topic: Molécules
    topic: Modèles mathématiques
  subject:
    topic: SCIENCE
    topic: Physics
    topic: Atomic & Molecular
  subject:
    topic: Intermolecular forces
    topic: Computer simulation
  subject:
    topic: Molecules
    topic: Mathematical models
  subject:
    topic: Simulatiemodellen
  subject:
    topic: Monte Carlo-methode
  subject:
    topic: Statistische mechanica
  subject:
    topic: Moleculaire dynamica
  subject:
    topic: Vrije energie
  subject:
    topic: Fase-evenwichten
  subject:
    topic: Forças intermoleculares (simulação computacional)
  subject:
    topic: Molécula (modelos matemáticos)
  subject:
    topic: Simulação (estatística)
  classification: QD461 .F86 2002eb
  classification: 539/.6/0113
  related item:
    title info:
      title: Understanding molecular simulation
    name:
      name part: Frenkel, Daan, 1948-
    origin info:
      publisher: San Diego : Academic Press, ©2002
      edition: 2nd ed.
    identifier: (DLC) 2001091477
    identifier: (OCoLC)47901441
  related item:
    title info:
      title: Computational science (San Diego, Calif.)
  identifier: 9780080519982
  identifier: 0080519989
  identifier: 9786611019747
  identifier: 661101974X
  identifier: 9780122673511
  identifier: 0122673514
  identifier: 89632:89632 Elsevier Science & Technology
  identifier: http://proxy.library.tamu.edu/login
  record info:
    record content source: N$T
    record creation date: 071005
    record change date: 20260326152832.4
    record identifier: in00005734061
    language of cataloging:
      language term: eng