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Newton-X Platform: New Software Developments for Surface Hopping and Nuclear Ensembles

  1. 1.
    SYSNO0562533
    TitleNewton-X Platform: New Software Developments for Surface Hopping and Nuclear Ensembles
    Author(s) Barbatti, M. (ed. FR)
    Bondanza, M. (IT)
    Crespo-Otero, R. (DE)
    Demoulin, B. (FR)
    Dral, P. O. (CN)
    Granucci, G. (IT)
    Kossoski, F. (FR)
    Lischka, H. (US)
    Mennucci, B. (IT)
    Mukherjee, S. (FR)
    Pederzoli, Marek (UFCH-W) ORCID, RID
    Persico, M. (IT)
    Pinheiro Jr., M. (FR)
    Pittner, Jiří (UFCH-W) RID, ORCID
    Plasser, F. (GB)
    Gil, E. S. (IT)
    Stojanović, L. (GB)
    Corespondence/seniorBarbatti, M. - Korespondující autor
    Source Title Journal of Chemical Theory and Computation . Roč. 18, č. 11 (2022), s. 6851-6865. - : American Chemical Society
    Document TypeČlánek v odborném periodiku
    Grant GA19-06860S GA ČR - Czech Science Foundation (CSF), CZ - Czech Republic
    Institutional supportUFCH-W - RVO:61388955
    Languageeng
    CountryUS
    Keywords Newton-X platform * nuclear ensembles * computational chemistry
    URLhttps://hdl.handle.net/11104/0334846
    Permanent Linkhttps://hdl.handle.net/11104/0334846
    FileDownloadSizeCommentaryVersionAccess
    0562533.pdf14.6 MBopen accessPublisher’s postprintopen-access
     
Number of the records: 1  

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