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      Finite-temperature materials modeling from the quantum nuclei to the hot electron regime

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          Generalized Gradient Approximation Made Simple

          John P Perdew, Kieron Burke, Matthias Ernzerhof (1997)
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            Special points for Brillouin-zone integrations

            Hendrik Monkhorst, James Pack (1976)
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              Fast Parallel Algorithms for Short-Range Molecular Dynamics

              Steve Plimpton (1995)
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                Author and article information

                Contributors
                Nataliya Lopanitsyna: (View ORCID Profile)
                Chiheb Ben Mahmoud: (View ORCID Profile)
                Michele Ceriotti: (View ORCID Profile)
                Journal
                Journal ID (publisher-id): PRMHAR
                Title: Physical Review Materials
                Abbreviated Title: Phys. Rev. Materials
                Publisher: American Physical Society (APS)
                ISSN (Electronic): 2475-9953
                Publication date Created: April 2021
                Publication date (Electronic): April 8 2021
                Volume: 5
                Issue: 4
                Article
                DOI: 10.1103/PhysRevMaterials.5.043802
                SO-VID: d823fb2f-4fb4-429c-94c0-6e0a66bdfe6f
                Copyright © © 2021
                License:

                https://link.aps.org/licenses/aps-default-license

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