Journal article

The ONETEP linear-scaling density functional theory program

  • Prentice, Joseph C. A. ORCID Department of Materials, University of Oxford, Parks Road, Oxford OX1 3PH, United Kingdom
  • Aarons, Jolyon ORCID Department of Physics, University of Warwick, Gibbet Hill Road, Coventry CV4 7AL, United Kingdom
  • Womack, James C. ORCID The Faraday Institution, Quad One, Becquerel Avenue, Harwell Campus, Didcot OX11 0RA, United Kingdom
  • Allen, Alice E. A. TCM Group, Cavendish Laboratory, University of Cambridge, J. J. Thomson Avenue, Cambridge CB3 0HE, United Kingdom
  • Andrinopoulos, Lampros Department of Physics, Imperial College London, Exhibition Road, London SW7 2AZ, United Kingdom
  • Anton, Lucian UKAEA, Culham Science Centre, Abingdon OX14 3DB, United Kingdom
  • Bell, Robert A. Mind Foundry Ltd., Oxford, United Kingdom
  • Bhandari, Arihant The Faraday Institution, Quad One, Becquerel Avenue, Harwell Campus, Didcot OX11 0RA, United Kingdom
  • Bramley, Gabriel A. School of Chemistry, University of Southampton, Highfield, Southampton SO17 1BJ, United Kingdom
  • Charlton, Robert J. ORCID Thomas Young Centre, Imperial College London, Exhibition Road, London SW7 2AZ, United Kingdom
  • Clements, Rebecca J. ORCID School of Chemistry, University of Southampton, Highfield, Southampton SO17 1BJ, United Kingdom
  • Cole, Daniel J. School of Natural and Environmental Sciences, Newcastle University, Newcastle upon Tyne NE1 7RU, United Kingdom
  • Constantinescu, Gabriel TCM Group, Cavendish Laboratory, University of Cambridge, J. J. Thomson Avenue, Cambridge CB3 0HE, United Kingdom
  • Corsetti, Fabiano Thomas Young Centre, Imperial College London, Exhibition Road, London SW7 2AZ, United Kingdom
  • Dubois, Simon M.-M. Institute of Condensed Matter and Nanosciences, Université Catholique de Louvain, Louvain-la-Neuve, Belgium
  • Duff, Kevin K. B. Enthought, 21 J. J. Thomson Avenue, Cambridge CB3 0FA, United Kingdom
  • Escartín, José María ORCID Institut de Química Teòrica i Computacional, Universitat de Barcelona, Calle Martí i Franquès 1, 08028 Barcelona, Spain
  • Greco, Andrea Department of Physics, Imperial College London, Exhibition Road, London SW7 2AZ, United Kingdom
  • Hill, Quintin School of Chemistry, University of Southampton, Highfield, Southampton SO17 1BJ, United Kingdom
  • Lee, Louis P. TCM Group, Cavendish Laboratory, University of Cambridge, J. J. Thomson Avenue, Cambridge CB3 0HE, United Kingdom
  • Linscott, Edward Theory and Simulation of Materials (THEOS), École Polytechnique Fédérale de Lausanne, CH-1015 Lausanne, Switzerland
  • O’Regan, David D. ORCID School of Physics, AMBER, and CRANN Institute, Trinity College Dublin, The University of Dublin, Dublin 2, Ireland
  • Phipps, Maximillian J. S. Capco, 77-79 Great Eastern Street, Hackney, London EC2A 3HU, United Kingdom
  • Ratcliff, Laura E. Thomas Young Centre, Imperial College London, Exhibition Road, London SW7 2AZ, United Kingdom
  • Serrano, Álvaro Ruiz The Boston Consulting Group, Calle Alcalá 95, Madrid 28009, Spain
  • Tait, Edward W. TCM Group, Cavendish Laboratory, University of Cambridge, J. J. Thomson Avenue, Cambridge CB3 0HE, United Kingdom
  • Teobaldi, Gilberto ORCID Stephenson Institute for Renewable Energy and Department of Chemistry, University of Liverpool, Liverpool L69 3BX, United Kingdom
  • Vitale, Valerio Thomas Young Centre, Imperial College London, Exhibition Road, London SW7 2AZ, United Kingdom
  • Yeung, Nelson Department of Physics, University of Warwick, Gibbet Hill Road, Coventry CV4 7AL, United Kingdom
  • Zuehlsdorff, Tim J. ORCID Chemistry and Chemical Biology, University of California Merced, Merced, California 95343, USA
  • Dziedzic, Jacek ORCID Faculty of Applied Physics and Mathematics, Gdańsk University of Technology, Narutowicza 11/12, 80-233 Gdańsk, Poland
  • Haynes, Peter D. ORCID Thomas Young Centre, Imperial College London, Exhibition Road, London SW7 2AZ, United Kingdom
  • Hine, Nicholas D. M. ORCID Department of Physics, University of Warwick, Gibbet Hill Road, Coventry CV4 7AL, United Kingdom
  • Mostofi, Arash A. ORCID Thomas Young Centre, Imperial College London, Exhibition Road, London SW7 2AZ, United Kingdom
  • Payne, Mike C. TCM Group, Cavendish Laboratory, University of Cambridge, J. J. Thomson Avenue, Cambridge CB3 0HE, United Kingdom
  • Skylaris, Chris-Kriton ORCID The Faraday Institution, Quad One, Becquerel Avenue, Harwell Campus, Didcot OX11 0RA, United Kingdom
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Published in:
  • The Journal of Chemical Physics. - AIP Publishing. - 2020, vol. 152, no. 17, p. 174111
Language
  • English
Open access status
hybrid
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Persistent URL
https://sonar.ch/global/documents/211278
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