Efficient Search for Energetically Favorable Molecular Conformations against Metastable States via Gray-Box Optimization

Kei Terayama, Masato Sumita, Michio Katouda, Koji Tsuda, Yasushi Okuno
July 2021
DOI
タイプ
Journal article
収録
Journal of Chemical Theory and Computation, 17, 5419-5427
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寺山 慧
特別研究員 (理研)