Challenges for large scale simulation: general discussion
Abstract
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- This article is part of the themed collection: New horizons in density functional theory
Kieron
Burke,
Bartolomeo
Civalleri,
Daniel J.
Cole,
Gábor
Csányi,
Grégoire
David,
Nikitas I.
Gidopoulos,
Duncan
Gowland,
Trygve
Helgaker,
Michael F.
Herbst,
Ben
Hourahine,
Tom J. P.
Irons,
Christoph R.
Jacob,
Pierre-François
Loos,
Nisha
Mehta,
Manasi R.
Mulay,
Johannes
Neugebauer,
Katarzyna
Pernal,
Aurora
Pribram-Jones,
Pina
Romaniello,
Matthew R.
Ryder,
Andreas
Savin,
Dumitru
Sirbu,
Chris-Kriton
Skylaris,
Donald G.
Truhlar,
Jack
Wetherell
and
Weitao
Yang
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J. G. Brandenburg, K. Burke, B. Civalleri, D. J. Cole, G. Csányi, G. David, N. I. Gidopoulos, D. Gowland, T. Helgaker, M. F. Herbst, B. Hourahine, T. J. P. Irons, C. R. Jacob, P. Loos, N. Mehta, M. R. Mulay, J. Neugebauer, K. Pernal, A. Pribram-Jones, P. Romaniello, M. R. Ryder, A. Savin, D. Sirbu, C. Skylaris, D. G. Truhlar, J. Wetherell and W. Yang, Faraday Discuss., 2020, 224, 309 DOI: 10.1039/D0FD90024A
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