Result Number | Material Type | Add to My Shelf Action | Record Details and Options |
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1 |
Material Type: Artigo
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First Principles Neural Network Potentials for Reactive Simulations of Large Molecular and Condensed SystemsBehler, JörgAngewandte Chemie (International ed.), 2017-10, Vol.56 (42), p.12828-12840 [Periódico revisado por pares]Germany: Wiley Subscription Services, IncTexto completo disponível |
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2 |
Material Type: Artigo
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More bang for your buck: Improved use of GPU nodes for GROMACS 2018Kutzner, Carsten ; Páll, Szilárd ; Fechner, Martin ; Esztermann, Ansgar ; Groot, Bert L. ; Grubmüller, HelmutJournal of computational chemistry, 2019-10, Vol.40 (27), p.2418-2431 [Periódico revisado por pares]Hoboken, USA: John Wiley & Sons, IncTexto completo disponível |
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3 |
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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4 |
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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5 |
Material Type: Livro
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Quantum Chemistry Simulation of Biological MoleculesAlbuquerque, EudenilsonCambridge: Cambridge University Press 2020Sem texto completo |
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6 |
Material Type: Artigo
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Advantageous crystalline-amorphous phase boundary for enhanced electrochemical water oxidationHan, HyukSu ; Choi, Heechae ; Mhin, Sungwook ; Hong, Yu-Rim ; Kim, Kang Min ; Kwon, Jiseok ; Ali, Ghulam ; Chung, Kyung Yoon ; Je, Minyeong ; Umh, Ha Nee ; Lim, Dong-Ha ; Davey, Kenneth ; Qiao, Shi-Zhang ; Paik, Ungyu ; Song, TaeseupEnergy & environmental science, 2019-01, Vol.12 (8), p.2443-2454 [Periódico revisado por pares]Cambridge: Royal Society of ChemistryTexto completo disponível |
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7 |
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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8 |
Material Type: Artigo
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From predictive modelling to machine learning and reverse engineering of colloidal self-assemblyDijkstra, Marjolein ; Luijten, ErikNature materials, 2021-06, Vol.20 (6), p.762-773 [Periódico revisado por pares]London: Nature Publishing GroupTexto completo disponível |
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9 |
Material Type: Artigo
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Non‐3d Metal Modulation of a Cobalt Imidazolate Framework for Excellent Electrocatalytic Oxygen Evolution in Neutral MediaXu, Yan‐Tong ; Ye, Zi‐Ming ; Ye, Jia‐Wen ; Cao, Li‐Ming ; Huang, Rui‐Kang ; Wu, Jun‐Xi ; Zhou, Dong‐Dong ; Zhang, Xue‐Feng ; He, Chun‐Ting ; Zhang, Jie‐Peng ; Chen, Xiao‐MingAngewandte Chemie (International ed.), 2019-01, Vol.58 (1), p.139-143 [Periódico revisado por pares]Germany: Wiley Subscription Services, IncTexto completo disponível |
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10 |
Material Type: Artigo
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Ultrathin Molybdenum Carbide MXene with Fast Biodegradability for Highly Efficient Theory‐Oriented Photonic Tumor HyperthermiaFeng, Wei ; Wang, Rongyan ; Zhou, Yadan ; Ding, Li ; Gao, Xiang ; Zhou, Bangguo ; Hu, Ping ; Chen, YuAdvanced functional materials, 2019-05, Vol.29 (22), p.n/a [Periódico revisado por pares]Hoboken: Wiley Subscription Services, IncTexto completo disponível |