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Material Type: Artigo
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A method of majority logic reduction for quantum cellular automataRumi Zhang ; Walus, K. ; Wei Wang ; Jullien, G.A.IEEE transactions on nanotechnology, 2004-12, Vol.3 (4), p.443-450 [Periódico revisado por pares]New York, NY: IEEETexto completo disponível |
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Material Type: Artigo
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FactSage thermochemical software and databases, 2010–2016Bale, C.W. ; Bélisle, E. ; Chartrand, P. ; Decterov, S.A. ; Eriksson, G. ; Gheribi, A.E. ; Hack, K. ; Jung, I.-H. ; Kang, Y.-B. ; Melançon, J. ; Pelton, A.D. ; Petersen, S. ; Robelin, C. ; Sangster, J. ; Spencer, P. ; Van Ende, M-A.Calphad, 2016-09, Vol.54, p.35-53 [Periódico revisado por pares]Elsevier LtdTexto completo disponível |
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Material Type: Artigo
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Review on modeling of the anode solid electrolyte interphase (SEI) for lithium-ion batteriesWang, Aiping ; Kadam, Sanket ; Li, Hong ; Shi, Siqi ; Qi, Yuenpj computational materials, 2018-03, Vol.4 (1), p.1-26, Article 15 [Periódico revisado por pares]London: Nature Publishing GroupTexto completo disponível |
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Material Type: Artigo
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On-the-fly active learning of interpretable Bayesian force fields for atomistic rare eventsVandermause, Jonathan ; Torrisi, Steven B ; Batzner Simon ; Xie, Yu ; Sun, Lixin ; Kolpak, Alexie M ; Kozinsky Borisnpj computational materials, 2020-03, Vol.6 (1), Article 20 [Periódico revisado por pares]London: Nature Publishing GroupTexto completo disponível |
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Material Type: Artigo
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Machine learning in materials informatics: recent applications and prospectsRamprasad, Rampi ; Batra, Rohit ; Pilania, Ghanshyam ; Mannodi-Kanakkithodi, Arun ; Kim, Chihonpj computational materials, 2017-12, Vol.3 (1), p.1-13, Article 54 [Periódico revisado por pares]London: Nature Publishing GroupTexto completo disponível |
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Material Type: Artigo
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Quantum simulations of materials on near-term quantum computersHe, Ma ; Govoni, Marco ; Galli Giulianpj computational materials, 2020-07, Vol.6 (1), Article 85 [Periódico revisado por pares]London: Nature Publishing GroupTexto completo disponível |
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Material Type: Artigo
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Structure identification methods for atomistic simulations of crystalline materialsStukowski, AlexanderModelling and simulation in materials science and engineering, 2012-06, Vol.20 (4), p.45021-15 [Periódico revisado por pares]United States: IOP PublishingTexto completo disponível |
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Material Type: Artigo
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Understanding the physical metallurgy of the CoCrFeMnNi high-entropy alloy: an atomistic simulation studyChoi, Won-Mi ; Jo, Yong Hee ; Sohn, Seok Su ; Lee, Sunghak ; Lee, Byeong-Joonpj computational materials, 2018-01, Vol.4 (1), p.1, Article 1 [Periódico revisado por pares]London: Nature Publishing GroupTexto completo disponível |
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Material Type: Artigo
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The ReaxFF reactive force-field: development, applications and future directionsSenftle, Thomas P ; Hong, Sungwook ; Islam, Md Mahbubul ; Kylasa, Sudhir B ; Zheng, Yuanxia ; Shin, Yun Kyung ; Junkermeier, Chad ; Engel-Herbert, Roman ; Janik, Michael J ; Aktulga, Hasan Metin ; Verstraelen, Toon ; Grama, Ananth ; van Duin, Adri C Tnpj computational materials, 2016-03, Vol.2 (1), p.15011-15011, Article 15011 [Periódico revisado por pares]London: Nature Publishing GroupTexto completo disponível |
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Material Type: Artigo
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De novo exploration and self-guided learning of potential-energy surfacesBernstein, Noam ; Csányi, Gábor ; Deringer, Volker L.npj computational materials, 2019-10, Vol.5 (1), p.1-9, Article 99 [Periódico revisado por pares]London: Nature Publishing GroupTexto completo disponível |