NWChem: Past, Present, and Future

Autor: George C. Schatz, Karol Kowalski, Prakash Verma, Roberto D. Lins, H. J. J. van Dam, D. M. A. Smith, Roberto Peverati, Aleksandr V. Marenich, Nicholas P. Bauman, M. Krishnan, Wan Yong Ma, Chan-Shan Yang, Y. Chen, Rika Kobayashi, T. Pirojsirikul, Lasse Jensen, Daniel R. Nascimento, Michael Klemm, So Hirata, Yan Zhao, M. J. O. Deegan, Kenneth Lopata, Daniel Mejía-Rodríguez, Benny G. Johnson, Jiri Pittner, Kiril Tsemekhman, Edoardo Aprà, W. A. de Jong, Kimihiko Hirao, Jorge Garza, Theresa L. Windus, Oreste Villa, Soumen Ghosh, Jeffery S. Boschen, Eric D. Hermes, K. Bhaskaran-Nair, J. Martin del Campo, Krzysztof Wolinski, Daniel W. Silverstein, Kenneth G. Dyall, J. Anchell, Qin Wu, Gennady N. Chuev, L. Pollack, J. Nieplocha, Stuart Bogatko, Christopher J. Cramer, Duo Song, P. Sadayappan, Jeffrey C. Becca, Abhinav Vishnu, Yuri Alexeev, Eric J. Bylaska, Thom H. Dunning, Piotr Borowski, Vinod Tipparaju, Jeffrey A. Nichols, T. P. Straatsma, Alberto Otero-de-la-Roza, T. Van Voorhis, Jeff Daily, Donald G. Truhlar, Emilie Cauet, Jochen Autschbach, Marcel Swart, V. Konkov, G. S. Thomas, Rik J. Littlefield, Justin E. Moore, Zhiyong Zhang, Kurt R. Glaesemann, Q. Yu, Nitin A. Gawande, Bruce J. Palmer, Zijing Lin, Raymond Atta-Fynn, Fredy W. Aquino, Laura Gagliardi, Marat Valiev, Adam Bruner, Ricky A. Kendall, Jonathan M. Mullin, Andreas W. Götz, Dunyou Wang, Ryan M. Richard, V. Anisimov, Mathias Jacquelin, P. J. Nichols, Martin Zacharias, Takahito Nakajima, Jiří Brabec, David E. Bernholdt, George I. Fann, Ajay Panyala, Michel Dupuis, Andrew J. Logsdail, Thereza A. Soares, A. T. Wong, Mark J. Williamson, Hannes Jónsson, Alexandr Fonari, Robert W. Harrison, H. L. Taylor, Herbert A. Früchtl, William A. Shelton, Sriram Krishnamoorthy, Bo Peng, Sean A. Fischer, Niranjan Govind, Álvaro Vázquez-Mayagoitia, Konstantinos D. Vogiatzis, Volkhard Helms, Jeff R. Hammond, John H. Weare
Přispěvatelé: University of St Andrews. School of Chemistry, University of St Andrews. EaSTCHEM
Rok vydání: 2020
Předmět:
Zdroj: The Journal of Chemical Physics, 2020, vol. 152, núm. 18, p. 182102
Articles publicats (D-Q)
DUGiDocs – Universitat de Girona
instname
Scopus
RUO. Repositorio Institucional de la Universidad de Oviedo
Universidad de las Islas Baleares
ISSN: 2016-2030
0021-9606
DOI: 10.48550/arxiv.2004.12023
Popis: A. Otero-de-la-Roza acknowledges support from the Spanish government for a Ramón y Cajal fellowship (No. RyC-2016-20301) and for financial support (Project Nos. PGC2018-097520-A-100 and RED2018-102612-T).
Aprà, E., Bylaska, E.J., De Jong, W.A., Govind, N., Kowalski, K., Straatsma, T.P., Valiev, M., Van Dam, H.J.J., Alexeev, Y., Anchell, J., Anisimov, V., Aquino, F.W., Atta-Fynn, R., Autschbach, J., Bauman, N.P., Becca, J.C., Bernholdt, D.E., Bhaskaran-Nair, K., Bogatko, S., Borowski, P., Boschen, J., Brabec, J., Bruner, A., Cauët, E., Chen, Y., Chuev, G.N., Cramer, C.J., Daily, J., Deegan, M.J.O., Dunning, T.H., Jr., Dupuis, M., Dyall, K.G., Fann, G.I., Fischer, S.A., Fonari, A., Früchtl, H., Gagliardi, L., Garza, J., Gawande, N., Ghosh, S., Glaesemann, K., Götz, A.W., Hammond, J., Helms, V., Hermes, E.D., Hirao, K., Hirata, S., Jacquelin, M., Jensen, L., Johnson, B.G., Jónsson, H., Kendall, R.A., Klemm, M., Kobayashi, R., Konkov, V., Krishnamoorthy, S., Krishnan, M., Lin, Z., Lins, R.D., Littlefield, R.J., Logsdail, A.J., Lopata, K., Ma, W., Marenich, A.V., Martin Del Campo, J., Mejia-Rodriguez, D., Moore, J.E., Mullin, J.M., Nakajima, T., Nascimento, D.R., Nichols, J.A., Nichols, P.J., Nieplocha, J., Otero-De-La-Roza, A., Palmer, B., Panyala, A., Pirojsirikul, T., Peng, B., Peverati, R., Pittner, J., Pollack, L., Richard, R.M., Sadayappan, P., Schatz, G.C., Shelton, W.A., Silverstein, D.W., Smith, D.M.A., Soares, T.A., Song, D., Swart, M., Taylor, H.L., Thomas, G.S., Tipparaju, V., Truhlar, D.G., Tsemekhman, K., Van Voorhis, T., Vázquez-Mayagoitia, A., Verma, P., Villa, O., Vishnu, A., Vogiatzis, K.D., Wang, D., Weare, J.H., Williamson, M.J., Windus, T.L., Woliński, K., Wong, A.T., Wu, Q., Yang, C., Yu, Q., Zacharias, M., Zhang, Z., Zhao, Y., Harrison, R.J.
Databáze: OpenAIRE
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