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Browse "Dept. of Chemistry(화학과)" by Author Hwang, Sang-Yeon

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Showing results 1 to 16 of 16

1	Bayesian's eye on molecular science: Bayesian deep optimization of Onsager-Machlup action learning for uncertainty quantification and active learning of molecular properties Ryu, Seongok; Kwon, Yongchan; Hwang, Sang-Yeon; Kim, Woo Youn, The 5 th International Conference on Molecular Simulation, The Korean Institute of Metals and Materials, The Korea Institute of Science and Technology, Korea Advanced Institute of Science and Technology - ACE Team, Seoul National University, 2019-11-04
2	Characteristic of Kohn-Sham orbitals obtained by Krieger-Li-Iafrate approximation and its application to excited state calculation Kim, Jaewook; Hong, Kwang-Woo; Choi, Sunghwan; Hwang, Sang-Yeon; Kim, Woo Youn, IUPAC-2015, Korean Chemical Society, 2015-08-13
3	Configuration interaction singles based on the real-space numerical grid method: Kohn-Sham versus Hartree-Fock orbitals Kim, Jaewook; Hong, Kwangwoo; Choi, Sunghwan; Hwang, Sang-Yeon; Kim, Woo Youn, PHYSICAL CHEMISTRY CHEMICAL PHYSICS, v.17, no.47, pp.31434 - 31443, 2015-12
4	Effects of the locality of a potential derived from hybrid density functionals on Kohn-Sham orbitals and excited states Kim, Jaewook; Hong, Kwang-Woo; Hwang, Sang-Yeon; Ryu, Seongok; Choi, Sunghwan; Kim, Woo Youn, PHYSICAL CHEMISTRY CHEMICAL PHYSICS, v.19, no.15, pp.10177 - 10186, 2017-04
5	Fragment-orbital tunneling currents and electronic couplings for analysis of molecular charge-transfer systems Hwang, Sang-Yeon; Kim, Jaewook; Kim, Woo Youn, PHYSICAL CHEMISTRY CHEMICAL PHYSICS, v.20, no.14, pp.9146 - 9156, 2018-04
6	Importance of local exact exchange potential in hybrid functionals for accurate excited states Kim, Jaewook; Hong, Kwang-Woo; Sungwoo, Kang; LIM, JAE; Hwang, Sang-Yeon; Ryu, Seongok; Choi, Sunghwan; et al, 11th Triennial Congress of the World Association of Theoretical and Computational Chemists, Ludwig-Maximilians-Universität (LMU), 2017-08-29
7	Kohn-Sham approach for fast hybrid density functional calculations in real-space numerical grid methods Kim, Jaewook; Kang, Sungwoo; Lim, Jaechang; Hwang, Sang-Yeon; Kim, Woo Youn, COMPUTER PHYSICS COMMUNICATIONS, v.230, pp.21 - 26, 2018-09
8	On the couplings in molecular charge transfer = 분자계 전하전달에서의 짝지음에 대하여 link Hwang, Sang-Yeon; Kim, Woo Youn; et al, 한국과학기술원, 2020
9	Performance of Range-Separated Hybrid Functional with Krieger-Li-Iafrate Potential for Molecular Excitation Energies Sungwoo, Kang; Kim, Jaewook; Choi, Sunghwan; LIM, JAE; Hwang, Sang-Yeon; Ryu, Seongok; Kim, Woo Youn, 11th Triennial Congress of the World Association of Theoretical and Computational Chemists, Ludwig-Maximilians-Universität (LMU), 2017-08-29
10	PIGNet2: a versatile deep learning-based protein-ligand interaction prediction model for binding affinity scoring and virtual screening Moon, Seokhyun; Hwang, Sang-Yeon; Lim, Jaechang; Kim, Woo Youn, DIGITAL DISCOVERY, v.3, no.2, pp.287 - 299, 2024-02
11	Probability current analysis and the charge transfer integral in organic semiconducting materials Hwang, Sang-Yeon; Kim, Woo Youn, 11th Triennial Congress of the World Association of Theoretical and Computational Chemists, Ludwig-Maximilians-Universität (LMU), 2017-08-31
12	Reversible disorder-order transitions in atomic crystal nucleation Jeon, Sungho; Heo, Taeyeong; Hwang, Sang-Yeon; Ciston, Jim; Bustillo, Karen C.; Reed, Bryan W.; Ham, Jimin; et al, SCIENCE, v.371, no.6528, pp.498 - +, 2021-01
13	Scaffold-based molecular design using a graph generative model Lim, Jaechang; Hwang, Sang-Yeon; Moon, Seokhyun; Kim, Seungsu; Kim, Woo Youn, 10th Triennial Congress of the International Society for Theoretical Chemical Physics, UiT The Arctic University of Norway, 2019-07-15
14	Scaffold-based Molecular Design Using Graph Generative Model Lim, Jaechang; Hwang, Sang-Yeon; Kim, Seungsu; Moon, Seokhyun; Kim, Woo Youn, The 2019 Asia-Pacific Association of Theoretical and Computational Chemists, APATCC 2019, 2019-09-30
15	Scaffold-based molecular design with a graph generative model Lim, Jaechang; Hwang, Sang-Yeon; Moon, Seokhyun; Kim, Seungsu; Kim, Woo Youn, CHEMICAL SCIENCE, v.11, no.4, pp.1153 - 1164, 2020-01
16	Visual and quantitative characterizations of molecular charge-transfer systems using the fragment-orbital tunneling current Hwang, Sang-Yeon; Kim, Jaewook; Kim, Woo Youn, 2018 Electron Donor-Acceptor Interactions, Gordon Research Conferences, 2018-08-07

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