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:
    non sort: The
    title: Gaussian Approximation Potential
    sub title: An Interatomic Potential Derived from First Principles Quantum Mechanics
  name:
    name part: Bartόk-Pártay, Albert.
    role:
      role term: creator
    role:
      role term: author.
  name:
    name part: SpringerLink (Online service)
  type of resource: text
  origin info:
    place:
      place term: gw
    date issued: 2010
    issuance: monographic
  language:
    language term: eng
  physical description:
    form: electronic
    form: electronic resource
    reformatting quality: access
    form: remote
    extent: XIV, 90 p. 31 illus., 2 illus. in color. online resource.
  abstract: Simulation of materials at the atomistic level is an important tool in studying microscopic structures and processes. The atomic interactions necessary for the simulations are correctly described by Quantum Mechanics, but the size of systems and the length of processes that can be modelled are still limited. The framework of Gaussian Approximation Potentials that is developed in this thesis allows us to generate interatomic potentials automatically, based on quantum mechanical data. The resulting potentials offer several orders of magnitude faster computations, while maintaining quantum mechanical accuracy. The method has already been successfully applied for semiconductors and metals.
  table of contents: Representation of Atomic Environments -- Gaussian Process -- Interatomic Potentials -- Computational Methods -- Results -- Conclusion and Further Work -- Appendices.
  note: by Albert Bartόk-Pártay.
  subject:
    topic: Physics
  subject:
    topic: Quantum physics
  subject:
    topic: Atoms
  subject:
    topic: Solid state physics
  subject:
    topic: Physics
  subject:
    topic: Quantum Physics
  subject:
    topic: Atomic, Molecular, Optical and Plasma Physics
  subject:
    topic: Theoretical, Mathematical and Computational Physics
  subject:
    topic: Solid State Physics
  classification: QC173.96-174.52
  classification: 530.12
  related item:
    title info:
      title: Springer eBooks
  related item:
    title info:
      title: Springer Theses, Recognizing Outstanding Ph.D. Research
  identifier: 9783642140679
  identifier: http://dx.doi.org/10.1007/978-3-642-14067-9
  record info:
    record creation date: 100726
    record change date: 20151204181407.0
    record identifier: 978-3-642-14067-9