[1
]Department of Materials, Imperial College London, Exhibition Road, London SW7 2AZ,
United Kingdom
[2
]Department of Physics, Imperial College London, Exhibition Road, London SW7 2AZ, United
Kingdom
[3
]Thomas Young Centre, Imperial College London, Exhibition Road, London SW7 2AZ, United
Kingdom
[4
]Department of Materials, University of Oxford, Parks Road, Oxford OX1 3PH, United
Kingdom
[5
]Department of Physics, University of Warwick, Gibbet Hill Road, Coventry CV4 7AL,
United Kingdom
[6
]School of Chemistry, University of Southampton, Highfield, Southampton SO17 1BJ, United
Kingdom
[7
]School of Chemistry, University of Bristol, Cantock’s Close, Bristol BS8 1TS, United
Kingdom
[8
]The Faraday Institution, Quad One, Becquerel Avenue, Harwell Campus, Didcot OX11 0RA,
United Kingdom
[9
]TCM Group, Cavendish Laboratory, University of Cambridge, J. J. Thomson Avenue, Cambridge
CB3 0HE, United Kingdom
[10
]UKAEA, Culham Science Centre, Abingdon OX14 3DB, United Kingdom
[11
]Mind Foundry Ltd., Oxford, United Kingdom
[12
]School of Natural and Environmental Sciences, Newcastle University, Newcastle upon
Tyne NE1 7RU, United Kingdom
[13
]Institute of Condensed Matter and Nanosciences, Université Catholique de Louvain,
Louvain-la-Neuve, Belgium
[14
]Enthought, 21 J. J. Thomson Avenue, Cambridge CB3 0FA, United Kingdom
[15
]Institut de Química Teòrica i Computacional, Universitat de Barcelona, Calle Martí
i Franquès 1, 08028 Barcelona, Spain
[16
]Theory and Simulation of Materials (THEOS), École Polytechnique Fédérale de Lausanne,
CH-1015 Lausanne, Switzerland
[17
]School of Physics, AMBER, and CRANN Institute, Trinity College Dublin, The University
of Dublin, Dublin 2, Ireland
[18
]Capco, 77-79 Great Eastern Street, Hackney, London EC2A 3HU, United Kingdom
[19
]The Boston Consulting Group, Calle Alcalá 95, Madrid 28009, Spain
[20
]Scientific Computing Department, STFC-UKRI, Rutherford Appleton Laboratory, Didcot
OX11 0QX, United Kingdom
[21
]Beijing Computational Science Research Centre, Beijing 100193, China
[22
]Stephenson Institute for Renewable Energy and Department of Chemistry, University
of Liverpool, Liverpool L69 3BX, United Kingdom
[23
]Chemistry and Chemical Biology, University of California Merced, Merced, California
95343, USA
[24
]Faculty of Applied Physics and Mathematics, Gdańsk University of Technology, Narutowicza
11/12, 80-233 Gdańsk, Poland