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Free Energy Computations: A Mathematical Perspective

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Title: Free Energy Computations: A Mathematical Perspective
Description: This monograph provides a general introduction to advanced computational methods for free energy calculations, from the systematic and rigorous point of view of applied mathematics. Free energy calculations in molecular dynamics have become an outstanding and increasingly broad computational field in physics, chemistry and molecular biology within the past few years, by making possible the analysis of complex molecular systems. This work proposes a new, general and rigorous presentation, intended both for practitioners interested in a mathematical treatment, and for applied mathematicians interested in molecular dynamics.
Authors: Mathias Rousset, Gabriel Stoltz, Tony Lelievre
Resource Type: eBook.
Subjects: Statistical physics--Mathematical models, Gibbs' free energy
Categories: MATHEMATICS / Applied, SCIENCE / Life Sciences / Biochemistry, SCIENCE / Physics / Atomic & Molecular
Database: eBook Collection (EBSCOhost)
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  – Type: ebook-pdf
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  Availability: 0
Header DbId: nlebk
DbLabel: eBook Collection (EBSCOhost)
An: 374863
RelevancyScore: 1031
AccessLevel: 6
PubType: eBook
PubTypeId: ebook
PreciseRelevancyScore: 1031.17456054688
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  Label: Title
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  Data: Free Energy Computations: A Mathematical Perspective
– Name: Abstract
  Label: Description
  Group: Ab
  Data: This monograph provides a general introduction to advanced computational methods for free energy calculations, from the systematic and rigorous point of view of applied mathematics. Free energy calculations in molecular dynamics have become an outstanding and increasingly broad computational field in physics, chemistry and molecular biology within the past few years, by making possible the analysis of complex molecular systems. This work proposes a new, general and rigorous presentation, intended both for practitioners interested in a mathematical treatment, and for applied mathematicians interested in molecular dynamics.
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  Label: Authors
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  Data: <searchLink fieldCode="AR" term="%22Mathias+Rousset%22">Mathias Rousset</searchLink><br /><searchLink fieldCode="AR" term="%22Gabriel+Stoltz%22">Gabriel Stoltz</searchLink><br /><searchLink fieldCode="AR" term="%22Tony+Lelievre%22">Tony Lelievre</searchLink>
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  Data: eBook.
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  Data: <searchLink fieldCode="DE" term="%22Statistical+physics--Mathematical+models%22">Statistical physics--Mathematical models</searchLink><br /><searchLink fieldCode="DE" term="%22Gibbs'+free+energy%22">Gibbs' free energy</searchLink>
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  Data: <searchLink fieldCode="ZK" term="%22MATHEMATICS+%2F+Applied%22">MATHEMATICS / Applied</searchLink><br /><searchLink fieldCode="ZK" term="%22SCIENCE+%2F+Life+Sciences+%2F+Biochemistry%22">SCIENCE / Life Sciences / Biochemistry</searchLink><br /><searchLink fieldCode="ZK" term="%22SCIENCE+%2F+Physics+%2F+Atomic+%26+Molecular%22">SCIENCE / Physics / Atomic & Molecular</searchLink>
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RecordInfo BibRecord:
  BibEntity:
    Classifications:
      – Code: 536.7
        Scheme: ddc
        Type: prePub
    Languages:
      – Code: eng
        Text: English
    Subjects:
      – SubjectFull: Statistical physics--Mathematical models
        Type: general
      – SubjectFull: Gibbs' free energy
        Type: general
    Titles:
      – TitleFull: Free Energy Computations: A Mathematical Perspective
        Type: main
  BibRelationships:
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      – PersonEntity:
          Name:
            NameFull: Mathias Rousset
      – PersonEntity:
          Name:
            NameFull: Gabriel Stoltz
      – PersonEntity:
          Name:
            NameFull: Tony Lelievre
      – PersonEntity:
          Name:
            NameFull: Mathias Rousset
      – PersonEntity:
          Name:
            NameFull: Gabriel Stoltz
      – PersonEntity:
          Name:
            NameFull: Tony Lelievre
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          Dates:
            – D: 01
              M: 01
              Type: published
              Y: 2010
            – D: 04
              M: 02
              Type: profile
              Y: 2014
          Identifiers:
            – Type: isbn-print
              Value: 9781848162471
            – Type: isbn-electronic
              Value: 9781848162488
          Titles:
            – TitleFull: Free Energy Computations: A Mathematical Perspective
              Type: main
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