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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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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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Correction: Temporal Gillespie algorithm: Fast simulation of contagion processes on time-varying networksVestergaard, Christian L ; Génois, MathieuPLoS computational biology, 2019-07, Vol.15 (7), p.e1007190-e1007190 [Periódico revisado por pares]United States: Public Library of ScienceTexto completo disponível |
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Material Type: Artigo
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Towards exact molecular dynamics simulations with machine-learned force fieldsChmiela, Stefan ; Sauceda, Huziel E ; Müller, Klaus-Robert ; Tkatchenko, AlexandreNature communications, 2018-09, Vol.9 (1), p.3887-10, Article 3887 [Periódico revisado por pares]England: Nature Publishing GroupTexto completo disponível |
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Material Type: Artigo
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Universal structure of dark matter haloes over a mass range of 20 orders of magnitudeWang, J ; Bose, S ; Frenk, C S ; Gao, L ; Jenkins, A ; Springel, V ; White, S D MNature (London), 2020-09, Vol.585 (7823), p.39-42 [Periódico revisado por pares]England: Nature Publishing GroupTexto completo disponível |
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Material Type: Artigo
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Complete protein-protein association kinetics in atomic detail revealed by molecular dynamics simulations and Markov modellingPlattner, Nuria ; Doerr, Stefan ; De Fabritiis, Gianni ; Noé, FrankNature chemistry, 2017-10, Vol.9 (10), p.1005-1011 [Periódico revisado por pares]England: Nature Publishing GroupTexto completo disponível |
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Material Type: Artigo
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Cybersecurity in Hospitals: A Systematic, Organizational PerspectiveJalali, Mohammad S ; Kaiser, Jessica PJournal of medical Internet research, 2018-05, Vol.20 (5), p.e10059-e10059 [Periódico revisado por pares]Canada: Journal of Medical Internet ResearchTexto completo disponível |
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Material Type: Artigo
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Magneto-optical trapping and sub-Doppler cooling of a polyatomic moleculeVilas, Nathaniel B ; Hallas, Christian ; Anderegg, Loïc ; Robichaud, Paige ; Winnicki, Andrew ; Mitra, Debayan ; Doyle, John MNature (London), 2022-06, Vol.606 (7912), p.70-74 [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 |