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1 |
Material Type: Artigo
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Reconfiguring active particles by electrostatic imbalanceYan, Jing ; Han, Ming ; Zhang, Jie ; Xu, Cong ; Luijten, Erik ; Granick, SteveNature materials, 2016-10, Vol.15 (10), p.1095-1099 [Periódico revisado por pares]England: Nature Publishing GroupTexto completo disponível |
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Material Type: Artigo
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NAMD goes quantum: an integrative suite for hybrid simulationsMelo, Marcelo C R ; Bernardi, Rafael C ; Rudack, Till ; Scheurer, Maximilian ; Riplinger, Christoph ; Phillips, James C ; Maia, Julio D C ; Rocha, Gerd B ; Ribeiro, João V ; Stone, John E ; Neese, Frank ; Schulten, Klaus ; Luthey-Schulten, ZaidaNature methods, 2018-05, Vol.15 (5), p.351-354 [Periódico revisado por pares]United States: Nature Publishing GroupTexto completo disponível |
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Material Type: Artigo
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Metastable liquid-liquid transition in a molecular model of waterPalmer, Jeremy C ; Martelli, Fausto ; Liu, Yang ; Car, Roberto ; Panagiotopoulos, Athanassios Z ; Debenedetti, Pablo GNature (London), 2014-06, Vol.510 (7505), p.385-388 [Periódico revisado por pares]England: Nature Publishing GroupTexto completo disponível |
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Material Type: Artigo
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Patchy particles made by colloidal fusionGong, Zhe ; Hueckel, Theodore ; Yi, Gi-Ra ; Sacanna, StefanoNature (London), 2017-10, Vol.550 (7675), p.234-238 [Periódico revisado por pares]England: Nature Publishing GroupTexto completo disponível |
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Material Type: Artigo
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Intermediate-sized molecular sieving of styrene from larger and smaller analoguesZhou, Dong-Dong ; Chen, Pin ; Wang, Chao ; Wang, Sha-Sha ; Du, Yunfei ; Yan, Hui ; Ye, Zi-Ming ; He, Chun-Ting ; Huang, Rui-Kang ; Mo, Zong-Wen ; Huang, Ning-Yu ; Zhang, Jie-PengNature materials, 2019-09, Vol.18 (9), p.994-998 [Periódico revisado por pares]England: Nature Publishing GroupTexto completo disponível |
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Material Type: Artigo
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An adaptive variational algorithm for exact molecular simulations on a quantum computerGrimsley, Harper R ; Economou, Sophia E ; Barnes, Edwin ; Mayhall, Nicholas JNature communications, 2019-07, Vol.10 (1), p.3007-9, Article 3007 [Periódico revisado por pares]England: Nature Publishing GroupTexto completo disponível |
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Material Type: Artigo
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qTorch: The quantum tensor contraction handlerFried, E Schuyler ; Sawaya, Nicolas P D ; Cao, Yudong ; Kivlichan, Ian D ; Romero, Jhonathan ; Aspuru-Guzik, Alán Hen, ItayPloS one, 2018-12, Vol.13 (12), p.e0208510-e0208510 [Periódico revisado por pares]United States: Public Library of ScienceTexto completo disponível |
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Material Type: Artigo
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Virtual Patient Simulations in Health Professions Education: Systematic Review and Meta-Analysis by the Digital Health Education CollaborationKononowicz, Andrzej A ; Woodham, Luke A ; Edelbring, Samuel ; Stathakarou, Natalia ; Davies, David ; Saxena, Nakul ; Tudor Car, Lorainne ; Carlstedt-Duke, Jan ; Car, Josip ; Zary, NabilJournal of medical Internet research, 2019-07, Vol.21 (7), p.e14676-e14676 [Periódico revisado por pares]Canada: Journal of Medical Internet ResearchTexto completo disponível |
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Material Type: Artigo
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Fast Dating Using Least-Squares Criteria and AlgorithmsTo, Thu-Hien ; Jung, Matthieu ; Lycett, Samantha ; Gascuel, OlivierSystematic biology, 2016-01, Vol.65 (1), p.82-97 [Periódico revisado por pares]England: Oxford University PressTexto completo disponível |
10 |
Material Type: Artigo
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VAMPnets for deep learning of molecular kineticsMardt, Andreas ; Pasquali, Luca ; Wu, Hao ; Noé, FrankNature communications, 2018-01, Vol.9 (1), p.5-5, Article 5 [Periódico revisado por pares]England: Nature Publishing GroupTexto completo disponível |