Showing results 11 to 14 of 14
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 |
Supersampling method for efficient grid-based electronic structure calculations Ryu, Seongok; Choi, Sunghwan; Hong, Kwangwoo; Kim, Woo Youn, JOURNAL OF CHEMICAL PHYSICS, v.144, no.9, 2016-03 |
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 |
Update to ACE-molecule: Projector augmented wave method on lagrange-sinc basis set Kang, Sungwoo; Ryu, Seongok; Choi, Sunghwan; Kim, Jaewook; Hong, Kwangwoo; Kim, Woo Youn, INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY, v.116, no.8, pp.644 - 650, 2016-04 |
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