Challenges for large scale simulation: general discussion

Faraday Discuss. 2020 Dec 4;224(0):309-332. doi: 10.1039/D0FD90024A.

Authors

Jan Gerit Brandenburg, 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, Weitao Yang

PMID: 33227116
DOI: 10.1039/D0FD90024A

No abstract available