SLNSW-CP2K: An Electronic Structure and Molecular Dynam...-TN_cdi_proquest_journals_2375602254

CP2K: An Electronic Structure and Molecular Dynamics Software Package -- Quickstep: Efficient and Accurate Electronic Structure Calculations

Full title: CP2K: An Electronic Structure and Molecular Dynamics Software Package -- Quickstep: Efficient and Accurate Electronic Structure Calculations

Author/creator: Kühne, Thomas D, Iannuzzi, Marcella, Mauro Del Ben, Rybkin, Vladimir V, Seewald, Patrick, Stein, Frederick, Laino, Teodoro, Khaliullin, Rustam Z, Schütt, Ole, Schiffmann, Florian, Golze, Dorothea, Wilhelm, Jan, Chulkov, Sergey, Mohammad Hossein Bani-Hashemian, Weber, Valéry, Urban Borstnik, Taillefumier, Mathieu, Alice Shoshana Jakobovits, Lazzaro, Alfio, Pabst, Hans, Müller, Tiziano, Schade, Robert, Guidon, Manuel, Andermatt, Samuel, Holmberg, Nico, Schenter, Gregory K, Hehn, Anna, Bussy, Augustin, Belleflamme, Fabian, Tabacchi, Gloria, Glöß, Andreas, Lass, Michael, Bethune, Iain, Mundy, Christopher J, Plessl, Christian, Watkins, Matt, VandeVondele, Joost, Krack, Matthias, Hutter, Jürg.

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Record Identifier: TN_cdi_proquest_journals_2375602254

Language: English

Formats: Articles

Publishers: Ithaca: Cornell University Library, arXiv.org

Permalink: https://collection.sl.nsw.gov.au/record/TN_cdi_proquest_journals_2375602254

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    CP2K: An Electronic Structure and Molecular Dynamics Software Package -- Quickstep: Efficient and Accurate Electronic Structure Calculations

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    TN_cdi_proquest_journals_2375602254

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    https://collection.sl.nsw.gov.au/record/TN_cdi_proquest_journals_2375602254

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    CP2K: An Electronic Structure and Molecular Dynamics Software Package -- Quickstep: Efficient and Accurate Electronic Structure Calculations

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    https://collection.sl.nsw.gov.au/record/TN_cdi_proquest_journals_2375602254

    CP2K: An Electronic Structure and Molecular Dynamics Software Package -- Quickstep: Efficient and Accurate Electronic Structure Calculations

    Full title

    CP2K: An Electronic Structure and Molecular Dynamics Software Package -- Quickstep: Efficient and Accurate Electronic Structure Calculations

    Author / Creator

    Kühne, Thomas D ; Iannuzzi, Marcella ; Mauro Del Ben ; Rybkin, Vladimir V ; Seewald, Patrick ; Stein, Frederick ; Laino, Teodoro ; Khaliullin, Rustam Z ; Schütt, Ole ; Schiffmann, Florian ; Golze, Dorothea ; Wilhelm, Jan ; Chulkov, Sergey ; Mohammad Hossein Bani-Hashemian ; Weber, Valéry ; Urban Borstnik ; Taillefumier, Mathieu ; Alice Shoshana Jakobovits ; Lazzaro, Alfio ; Pabst, Hans ; Müller, Tiziano ; Schade, Robert ; Guidon, Manuel ; Andermatt, Samuel ; Holmberg, Nico ; Schenter, Gregory K ; Hehn, Anna ; Bussy, Augustin ; Belleflamme, Fabian ; Tabacchi, Gloria ; Glöß, Andreas ; Lass, Michael ; Bethune, Iain ; Mundy, Christopher J ; Plessl, Christian ; Watkins, Matt ; VandeVondele, Joost ; Krack, Matthias ; Hutter, Jürg

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    Ithaca: Cornell University Library, arXiv.org

    Journal title

    arXiv.org, 2020

    Record Identifier

    TN_cdi_proquest_journals_2375602254

    Language

    English

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    Algorithms Computer simulation Density functional theory Electronic structure Mathematical analysis Molecular dynamics Molecular structure Plane waves Simulation Software Software packages

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    TN_cdi_proquest_journals_2375602254

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    https://collection.sl.nsw.gov.au/record/TN_cdi_proquest_journals_2375602254

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