NWChem: Past, present, and future
dc.contributor.author | Aprà, E. | |
dc.contributor.author | Bylaska, E. J. | |
dc.contributor.author | de Jong, W. A. | |
dc.contributor.author | Otero de la Roza, Alberto | |
dc.date.accessioned | 2020-09-24T07:43:32Z | |
dc.date.available | 2020-09-24T07:43:32Z | |
dc.date.issued | 2020 | |
dc.identifier.citation | The Journal of chemical physics, 152(18), p. 184102- (2020); doi:10.1063/5.0004997 | |
dc.identifier.issn | 1089-7690 | |
dc.identifier.uri | http://hdl.handle.net/10651/56400 | |
dc.description.sponsorship | 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). | |
dc.description.statementofresponsibility | 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. | |
dc.format.extent | p. 184102- | |
dc.language.iso | eng | |
dc.relation.ispartof | The Journal of chemical physics | |
dc.rights | © 2020 AIP Publishing | |
dc.rights | CC Reconocimiento - No Comercial - Sin Obra Derivada 4.0 Internacional | |
dc.rights.uri | http://creativecommons.org/licenses/by-nc-nd/4.0/ | |
dc.source | Scopus | |
dc.source.uri | https://www.scopus.com/inward/record.uri?eid=2-s2.0-85084785862&doi=10.1063%2f5.0004997&partnerID=40&md5=8c414c00ee19d271e2bfe2712ad8279a | |
dc.title | NWChem: Past, present, and future | |
dc.type | journal article | |
dc.identifier.doi | 10.1063/5.0004997 | |
dc.relation.projectID | RyC-2016-20301 | |
dc.relation.projectID | PGC2018-097520-A-100 | |
dc.relation.projectID | RED2018-102612-T | |
dc.relation.publisherversion | http://dx.doi.org/10.1063/5.0004997 | |
dc.rights.accessRights | open access | |
dc.type.hasVersion | VoR |
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