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Page 1
NWChem: Past, present, and future.
Aprà E, Bylaska EJ, de Jong WA, Govind N, Kowalski K, Straatsma TP, Valiev M, van Dam HJJ, Alexeev Y, Anchell J, Anisimov V, Aquino FW, Atta-Fynn R, Autschbach J, Bauman NP, Becca JC, Bernholdt DE, Bhaskaran-Nair K, Bogatko S, Borowski P, Boschen J, Brabec J, Bruner A, Cauët E, Chen Y, Chuev GN, Cramer CJ, Daily J, Deegan MJO, Dunning TH Jr, Dupuis M, Dyall KG, Fann GI, Fischer SA, Fonari A, Früchtl H, Gagliardi L, Garza J, Gawande N, Ghosh S, Glaesemann K, Götz AW, Hammond J, Helms V, Hermes ED, Hirao K, Hirata S, Jacquelin M, Jensen L, Johnson BG, Jónsson H, Kendall RA, Klemm M, Kobayashi R, Konkov V, Krishnamoorthy S, Krishnan M, Lin Z, Lins RD, Littlefield RJ, Logsdail AJ, Lopata K, Ma W, Marenich AV, Martin Del Campo J, Mejia-Rodriguez D, Moore JE, Mullin JM, Nakajima T, Nascimento DR, Nichols JA, Nichols PJ, Nieplocha J, Otero-de-la-Roza A, Palmer B, Panyala A, Pirojsirikul T, Peng B, Peverati R, Pittner J, Pollack L, Richard RM, Sadayappan P, Schatz GC, Shelton WA, Silverstein DW, Smith DMA, Soares TA, Song D, Swart M, Taylor HL, Thomas GS, Tipparaju V, Truhlar DG, Tsemekhman K, Van Voorhis T, Vázquez-Mayagoitia Á, Verma P, Villa O, Vishnu A, Vogiatzis KD, Wang D, We… See abstract for full author list ➔ Aprà E, et al. Among authors: van dam hjj. J Chem Phys. 2020 May 14;152(18):184102. doi: 10.1063/5.0004997. J Chem Phys. 2020. PMID: 32414274
Memorial Viewpoint for Joop van Lenthe.
Balint-Kurti GG, Broer R, Budzelaar PHM, van Dam HJJ, Dijkstra F, Eshuis H, Groenenboom GC, Guest MF, Havenith RWA, Meijer AJHM, van Mourik T, Rashid Z. Balint-Kurti GG, et al. Among authors: van dam hjj. J Phys Chem A. 2022 Oct 20;126(41):7415-7417. doi: 10.1021/acs.jpca.2c06949. Epub 2022 Oct 10. J Phys Chem A. 2022. PMID: 36215137 No abstract available.
From NWChem to NWChemEx: Evolving with the Computational Chemistry Landscape.
Kowalski K, Bair R, Bauman NP, Boschen JS, Bylaska EJ, Daily J, de Jong WA, Dunning T Jr, Govind N, Harrison RJ, Keçeli M, Keipert K, Krishnamoorthy S, Kumar S, Mutlu E, Palmer B, Panyala A, Peng B, Richard RM, Straatsma TP, Sushko P, Valeev EF, Valiev M, van Dam HJJ, Waldrop JM, Williams-Young DB, Yang C, Zalewski M, Windus TL. Kowalski K, et al. Among authors: van dam hjj. Chem Rev. 2021 Apr 28;121(8):4962-4998. doi: 10.1021/acs.chemrev.0c00998. Epub 2021 Mar 31. Chem Rev. 2021. PMID: 33788546
21 results