Reinforcement Learning Assisted Crystal Structure Search under Complex Thermodynamic Constraints‎

iamrp.net-uitn-1793860076-q638748553 1793860076 Institute for Advanced Materials Research Press info@iamrp.net Institute for Advanced Materials Research Press Journal of Artificial Intelligence for Materials Science J. Artif. Intell. Mater. Sci. 3149-8957 2024 3 1 Reinforcement Learning Assisted Crystal Structure Search under Complex Thermodynamic Constraints‎ Ahmed Mansour Omar Saeed 2024 10.68159/q638748553 https://iamrp.net/pub/journal/1/article/q638748553 Maffioli L, Schweizer N, Friederich P, Cerqueira TF, Wenzel W. Training machine-learning potentials for crystal structure prediction using density-functional theory, tight-binding, and subgraph neural networks. Phys Rev B. 2020;102(22):224104. Kim S, Noh J, Gu GH, Aspuru-Guzik A, Jung Y. Generative adversarial networks for crystal structure prediction. ACS Cent Sci. 2020;6(8):1412-20. Chen C, Yeung Y, Zuo M. Graph networks as a universal machine learning framework for molecules and crystals. Chem Mater. 2021;31(9):3564-72. 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