Challenges for large scale simulation: General discussion

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

doi:10.1039/D0FD90024A

Challenges for large scale simulation: General discussion

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 RomanielloMatthew R. Ryder, Andreas Savin, Dumitru Sirbu, Chris Kriton Skylaris, Donald G. Truhlar, Jack Wetherell, Weitao Yang

Chemistry (Twin Cities)

Research output: Contribution to journal › Article › peer-review

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Original language	English (US)
Pages (from-to)	309-332
Number of pages	24
Journal	Faraday Discussions
Volume	224
DOIs	https://doi.org/10.1039/D0FD90024A
State	Published - Dec 1 2020

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Brandenburg, J. G., Burke, K., Civalleri, B., Cole, D. J., Csányi, G., David, G., Gidopoulos, N. I., Gowland, D., Helgaker, T., Herbst, M. F., Hourahine, B., Irons, T. J. P., Jacob, C. R., Loos, P. F., Mehta, N., Mulay, M. R., Neugebauer, J., Pernal, K., Pribram-Jones, A., ... Yang, W. (2020). Challenges for large scale simulation: General discussion. Faraday Discussions, 224, 309-332. https://doi.org/10.1039/D0FD90024A

Brandenburg, JG, Burke, K, Civalleri, B, Cole, DJ, Csányi, G, David, G, Gidopoulos, NI, Gowland, D, Helgaker, T, Herbst, MF, Hourahine, B, Irons, TJP, Jacob, CR, Loos, PF, Mehta, N, Mulay, MR, Neugebauer, J, Pernal, K, Pribram-Jones, A, Romaniello, P, Ryder, MR, Savin, A, Sirbu, D, Skylaris, CK, Truhlar, DG, Wetherell, J & Yang, W 2020, 'Challenges for large scale simulation: General discussion', Faraday Discussions, vol. 224, pp. 309-332. https://doi.org/10.1039/D0FD90024A

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AU - Brandenburg, Jan Gerit

AU - Burke, Kieron

AU - Civalleri, Bartolomeo

AU - Cole, Daniel J.

AU - Csányi, Gábor

AU - David, Grégoire

AU - Gidopoulos, Nikitas I.

AU - Gowland, Duncan

AU - Helgaker, Trygve

AU - Herbst, Michael F.

AU - Hourahine, Ben

AU - Irons, Tom J.P.

AU - Jacob, Christoph R.

AU - Loos, Pierre François

AU - Mehta, Nisha

AU - Mulay, Manasi R.

AU - Neugebauer, Johannes

AU - Pernal, Katarzyna

AU - Pribram-Jones, Aurora

AU - Romaniello, Pina

AU - Ryder, Matthew R.

AU - Savin, Andreas

AU - Sirbu, Dumitru

AU - Skylaris, Chris Kriton

AU - Truhlar, Donald G.

AU - Wetherell, Jack

AU - Yang, Weitao

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JO - Faraday Discussions

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Challenges for large scale simulation: General discussion

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