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DFT exchange: sharing perspectives on the workhorse of quantum chemistry and materials science.
Teale, Andrew M; Helgaker, Trygve; Savin, Andreas; Adamo, Carlo; Aradi, Bálint; Arbuznikov, Alexei V; Ayers, Paul W; Baerends, Evert Jan; Barone, Vincenzo; Calaminici, Patrizia; Cancès, Eric; Carter, Emily A; Chattaraj, Pratim Kumar; Chermette, Henry; Ciofini, Ilaria; Crawford, T Daniel; De Proft, Frank; Dobson, John F; Draxl, Claudia; Frauenheim, Thomas; Fromager, Emmanuel; Fuentealba, Patricio; Gagliardi, Laura; Galli, Giulia; Gao, Jiali; Geerlings, Paul; Gidopoulos, Nikitas; Gill, Peter M W; Gori-Giorgi, Paola; Görling, Andreas; Gould, Tim; Grimme, Stefan; Gritsenko, Oleg; Jensen, Hans Jørgen Aagaard; Johnson, Erin R; Jones, Robert O; Kaupp, Martin; Köster, Andreas M; Kronik, Leeor; Krylov, Anna I; Kvaal, Simen; Laestadius, Andre; Levy, Mel; Lewin, Mathieu; Liu, Shubin; Loos, Pierre-François; Maitra, Neepa T; Neese, Frank; Perdew, John P; Pernal, Katarzyna.
Afiliación
  • Teale AM; School of Chemistry, University of Nottingham, University Park, Nottingham, NG7 2RD, UK. andrew.teale@nottingham.ac.uk.
  • Helgaker T; Hylleraas Centre for Quantum Molecular Sciences, Department of Chemistry, University of Oslo, P.O. Box 1033 Blindern, N-0315 Oslo, Norway. trygve.helgaker@kjemi.uio.no.
  • Savin A; Laboratoire de Chimie Théorique, CNRS and Sorbonne University, 4 Place Jussieu, CEDEX 05, 75252 Paris, France. andreas.savin@lct.jussieu.fr.
  • Adamo C; PSL University, CNRS, ChimieParisTech-PSL, Institute of Chemistry for Health and Life Sciences, i-CLeHS, 11 rue P. et M. Curie, 75005 Paris, France. carlo-adamo@chimie-paristech.fr.
  • Aradi B; Bremen Center for Computational Materials Science, University of Bremen, P.O. Box 330440, D-28334 Bremen, Germany. aradi@uni-bremen.de.
  • Arbuznikov AV; Technische Universität Berlin, Institut für Chemie, Theoretische Chemie/Quantenchemie, Sekr. C7, Straße des 17. Juni 135, 10623, Berlin. alexey.arbuznikov@tu-berlin.de.
  • Ayers PW; McMaster University, Hamilton, Ontario, Canada. ayers@mcmaster.ca.
  • Baerends EJ; Department of Chemistry and Pharmaceutical Sciences, Faculty of Science, Vrije Universiteit, De Boelelaan 1083, 1081HV Amsterdam, The Netherlands. e.j.baerends@vu.nl.
  • Barone V; Scuola Normale Superiore, Piazza dei Cavalieri 7, 56125 Pisa, Italy. vincenzo.barone@sns.it.
  • Calaminici P; Departamento de Química, Centro de Investigación y de Estudios Avanzados (Cinvestav), CDMX, 07360, Mexico. akoster@cinvestav.mx.
  • Cancès E; CERMICS, Ecole des Ponts and Inria Paris, 6 Avenue Blaise Pascal, 77455 Marne-la-Vallée, France. cances@cermics.enpc.fr.
  • Carter EA; Department of Mechanical and Aerospace Engineering and the Andlinger Center for Energy and the Environment, Princeton University, Princeton, NJ 08544-5263, USA. eac@princeton.edu.
  • Chattaraj PK; Department of Chemistry, Indian Institute of Technology, Kharagpur, 721302, India. pkc@chem.iitkgp.ac.in.
  • Chermette H; Institut Sciences Analytiques, Université Claude Bernard Lyon1, CNRS UMR 5280, 69622 Villeurbanne, France. henry.chermette@univ-lyon1.fr.
  • Ciofini I; PSL University, CNRS, ChimieParisTech-PSL, Institute of Chemistry for Health and Life Sciences, i-CLeHS, 11 rue P. et M. Curie, 75005 Paris, France. carlo-adamo@chimie-paristech.fr.
  • Crawford TD; Department of Chemistry, Virginia Tech, Blacksburg, VA 24061, USA. crawdad@vt.edu.
  • De Proft F; Molecular Sciences Software Institute, Blacksburg, VA 24060, USA.
  • Dobson JF; Research Group of General Chemistry (ALGC), Vrije Universiteit Brussel (VUB), Pleinlaan 2, B-1050 Brussels, Belgium. fdeprof@vub.be.
  • Draxl C; Griffith University, Nathan, Queensland 4111, Australia. j.dobson@griffith.edu.au.
  • Frauenheim T; Institut für Physik and IRIS Adlershof, Humboldt-Universität zu Berlin, 12489 Berlin, Germany. claudia.draxl@physik.hu-berlin.de.
  • Fromager E; Fritz-Haber-Institut der Max-Planck-Gesellschaft, 14195 Berlin, Germany.
  • Fuentealba P; Bremen Center for Computational Materials Science, University of Bremen, P.O. Box 330440, D-28334 Bremen, Germany. aradi@uni-bremen.de.
  • Gagliardi L; Beijing Computational Science Research Center (CSRC), 100193 Beijing, China.
  • Galli G; Shenzhen JL Computational Science and Applied Research Institute, 518110 Shenzhen, China.
  • Gao J; Laboratoire de Chimie Quantique, Institut de Chimie, CNRS/Université de Strasbourg, 4 rue Blaise Pascal, 67000 Strasbourg, France. fromagere@unistra.fr.
  • Geerlings P; Departamento de Física, Facultad de Ciencias, Universidad de Chile, Casilla 653, Santiago, Chile. pfuentea@hotmail.es.
  • Gidopoulos N; Department of Chemistry, Pritzker School of Molecular Engineering, The James Franck Institute, and Chicago Center for Theoretical Chemistry, The University of Chicago, Chicago, Illinois 60637, USA. lgagliardi@uchicago.edu.
  • Gill PMW; Pritzker School of Molecular Engineering and Department of Chemistry, The University of Chicago, Chicago, IL, USA. gagalli@uchicago.edu.
  • Gori-Giorgi P; Institute of Systems and Physical Biology, Shenzhen Bay Laboratory, Shenzhen 518055, China. jiali@jialigao.org.
  • Görling A; Department of Chemistry, University of Minnesota, Minneapolis, MN 55455, USA.
  • Gould T; Research Group of General Chemistry (ALGC), Vrije Universiteit Brussel (VUB), Pleinlaan 2, B-1050 Brussels, Belgium. fdeprof@vub.be.
  • Grimme S; Department of Physics, Durham University, South Road, Durham DH1 3LE, UK. nikitas.gidopoulos@durham.ac.uk.
  • Gritsenko O; School of Chemistry, University of Sydney, Camperdown NSW 2006, Australia. p.gill@sydney.edu.au.
  • Jensen HJA; Department of Chemistry and Pharmaceutical Sciences, Amsterdam Institute of Molecular and Life Sciences (AIMMS), Faculty of Science, Vrije Universiteit, De Boelelaan 1083, 1081HV Amsterdam, The Netherlands. p.gorigiorgi@vu.nl.
  • Johnson ER; Chair of Theoretical Chemistry, University of Erlangen-Nuremberg, Egerlandstrasse 3, 91058 Erlangen, Germany. andreas.goerling@fau.de.
  • Jones RO; Qld Micro- and Nanotechnology Centre, Griffith University, Gold Coast, Qld 4222, Australia. t.gould@griffith.edu.au.
  • Kaupp M; Mulliken Center for Theoretical Chemistry, University of Bonn, Beringstrasse 4, 53115 Bonn, Germany. grimme@thch.uni-bonn.de.
  • Köster AM; Department of Chemistry and Pharmaceutical Sciences, Amsterdam Institute of Molecular and Life Sciences (AIMMS), Faculty of Science, Vrije Universiteit, De Boelelaan 1083, 1081HV Amsterdam, The Netherlands. p.gorigiorgi@vu.nl.
  • Kronik L; Department of Physics, Chemistry and Pharmacy, University of Southern Denmark, DK-5230 Odense M, Denmark. hjj@sdu.dk.
  • Krylov AI; Department of Chemistry, Dalhousie University, Halifax, Nova Scotia, B3H 4R2, Canada. erin.johnson@dal.ca.
  • Kvaal S; Peter Grünberg Institut PGI-1, Forschungszentrum Jülich, 52425 Jülich, Germany. r.jones@fz-juelich.de.
  • Laestadius A; Technische Universität Berlin, Institut für Chemie, Theoretische Chemie/Quantenchemie, Sekr. C7, Straße des 17. Juni 135, 10623, Berlin. alexey.arbuznikov@tu-berlin.de.
  • Levy M; Departamento de Química, Centro de Investigación y de Estudios Avanzados (Cinvestav), CDMX, 07360, Mexico. akoster@cinvestav.mx.
  • Lewin M; Department of Molecular Chemistry and Materials Science, Weizmann Institute of Science, Rehovoth, 76100, Israel. leeor.kronik@weizmann.ac.il.
  • Liu S; Department of Chemistry, University of Southern California, Los Angeles, California 90089, USA. krylov@usc.edu.
  • Loos PF; Hylleraas Centre for Quantum Molecular Sciences, Department of Chemistry, University of Oslo, P.O. Box 1033 Blindern, N-0315 Oslo, Norway. trygve.helgaker@kjemi.uio.no.
  • Maitra NT; Hylleraas Centre for Quantum Molecular Sciences, Department of Chemistry, University of Oslo, P.O. Box 1033 Blindern, N-0315 Oslo, Norway. trygve.helgaker@kjemi.uio.no.
  • Neese F; Department of Chemistry, Tulane University, New Orleans, Louisiana, 70118, USA. mlevy@tulane.edu.
  • Perdew JP; CNRS & CEREMADE, Université Paris-Dauphine, PSL Research University, Place de Lattre de Tassigny, 75016 Paris, France. mathieu.lewin@math.cnrs.fr.
  • Pernal K; Research Computing Center, University of North Carolina, Chapel Hill, NC 27599-3420, USA. shubin@email.unc.edu.
Phys Chem Chem Phys ; 24(47): 28700-28781, 2022 Dec 07.
Article en En | MEDLINE | ID: mdl-36269074
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Texto completo: 1 Bases de datos: MEDLINE Asunto principal: Ciencia de los Materiales Límite: Humans Idioma: En Revista: Phys Chem Chem Phys Asunto de la revista: BIOFISICA / QUIMICA Año: 2022 Tipo del documento: Article País de afiliación: Reino Unido
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Texto completo: 1 Bases de datos: MEDLINE Asunto principal: Ciencia de los Materiales Límite: Humans Idioma: En Revista: Phys Chem Chem Phys Asunto de la revista: BIOFISICA / QUIMICA Año: 2022 Tipo del documento: Article País de afiliación: Reino Unido