Showing results 5 to 6 of 6
Supersampling double grid method to improve accuracy of real space electronic structure calculation Ryu, Seongok; Choi, Sunghwan; Hong, Kwang-Woo; Kim, Woo-Youn, IUPAC-2015, Korean Chemical Society, 2015-08-13 |
Uncertainty quantification of molecule property predictions using Bayesian neural network models Ryu, Seongok; Kwon, Yongchan; Kim, Woo Youn, Workshop on "Machine Learning for Molecules and Materials", 32nd Neural Information Processing Systems, NeurIPS Foundation, 2018-12-08 |
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