Optimal construction of a fast and accurate polarizable water potential based on multipole moments trained by machine learning

C. M. Handley, Glenn Hawe, D. B. Kell, P. L. A. Popelier

    Research output: Contribution to journal › Article

    83 Citations (Scopus)
    LanguageEnglish
    Pages6365-6376
    JournalPhysical Chemistry Chemical Physics
    Volume11
    Issue number30
    DOIs
    Publication statusPublished - 5 Jun 2009

    Cite this

    Handley, C. M. ; Hawe, Glenn ; Kell, D. B. ; Popelier, P. L. A. / Optimal construction of a fast and accurate polarizable water potential based on multipole moments trained by machine learning. In: Physical Chemistry Chemical Physics. 2009 ; Vol. 11, No. 30. pp. 6365-6376.
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    title = "Optimal construction of a fast and accurate polarizable water potential based on multipole moments trained by machine learning",
    author = "Handley, {C. M.} and Glenn Hawe and Kell, {D. B.} and Popelier, {P. L. A.}",
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    doi = "10.1039/b905748j",
    language = "English",
    volume = "11",
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    publisher = "Royal Society of Chemistry",
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    Handley, CM, Hawe, G, Kell, DB & Popelier, PLA 2009, 'Optimal construction of a fast and accurate polarizable water potential based on multipole moments trained by machine learning', Physical Chemistry Chemical Physics, vol. 11, no. 30, pp. 6365-6376. https://doi.org/10.1039/b905748j

    Optimal construction of a fast and accurate polarizable water potential based on multipole moments trained by machine learning. / Handley, C. M.; Hawe, Glenn; Kell, D. B.; Popelier, P. L. A.

    In: Physical Chemistry Chemical Physics, Vol. 11, No. 30, 05.06.2009, p. 6365-6376.

    Research output: Contribution to journal › Article

    TY - JOUR

    T1 - Optimal construction of a fast and accurate polarizable water potential based on multipole moments trained by machine learning

    AU - Handley, C. M.

    AU - Hawe, Glenn

    AU - Kell, D. B.

    AU - Popelier, P. L. A.

    PY - 2009/6/5

    Y1 - 2009/6/5

    U2 - 10.1039/b905748j

    DO - 10.1039/b905748j

    M3 - Article

    VL - 11

    SP - 6365

    EP - 6376

    JO - Physical Chemistry Chemical Physics

    T2 - Physical Chemistry Chemical Physics

    JF - Physical Chemistry Chemical Physics

    SN - 1463-9076

    IS - 30

    ER -

    Handley CM, Hawe G, Kell DB, Popelier PLA. Optimal construction of a fast and accurate polarizable water potential based on multipole moments trained by machine learning. Physical Chemistry Chemical Physics. 2009 Jun 5;11(30):6365-6376. https://doi.org/10.1039/b905748j

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