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      Machine learning the quantum-chemical properties of metal–organic frameworks for accelerated materials discovery

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          Generalized Gradient Approximation Made Simple

          John P Perdew, Kieron Burke, Matthias Ernzerhof (1997)
          Article 0 comments Cited 28963 times – based on 0 reviews     Review now
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            Efficient iterative schemes forab initiototal-energy calculations using a plane-wave basis set

            G Kresse, J. Furthmüller (1996)
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              From ultrasoft pseudopotentials to the projector augmented-wave method

              G Kresse, D Joubert (1999)
              Physical Review B, 59(3), 1758-1775
              Article 0 comments Cited 6273 times – based on 0 reviews     Review now
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                Author and article information

                Contributors
                Andrew S. Rosen: (View ORCID Profile)
                Debmalya Ray: (View ORCID Profile)
                Journal
                Title: Matter
                Abbreviated Title: Matter
                Publisher: Elsevier BV
                ISSN (Print): 25902385
                Publication date Created: May 2021
                Publication date (Print): May 2021
                Volume: 4
                Issue: 5
                Pages: 1578-1597
                Article
                DOI: 10.1016/j.matt.2021.02.015
                SO-VID: 390cb6c9-9bb2-4617-af0f-401c5c5e4ad7
                Copyright © © 2021
                License:

                https://www.elsevier.com/tdm/userlicense/1.0/

                http://creativecommons.org/licenses/by/4.0/

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