Browse "CH-Journal Papers(저널논문)" by Author Choi, Sunghwan
Showing results 1 to 15 of 15
| Accuracy of Lagrange-sinc functions as a basis set for electronic structure calculations of atoms and molecules Choi, Sunghwan; Hong, Kwang-Woo; Kim, Jaewook; Kim, Woo-Youn, JOURNAL OF CHEMICAL PHYSICS, v.142, no.9, pp.094116, 2015-03 |
Computational Study of Hydrogen Chemisorption on a Multi-Phenyl Organic Linker as a Model of Hydrogen Spillover on Metal-Organic Frameworks Choi, Sunghwan; Jeong, Kyeong-jun; Park, Jiyoung; Lee, Yoon-Sup, BULLETIN OF THE KOREAN CHEMICAL SOCIETY, v.36, no.3, pp.777 - 783, 2015-03 |
| 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 |
| 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 |
| Efficient Basin-Hopping Sampling of Reaction Intermediates through Molecular Fragmentation and Graph Theory Kim, Yeonjoon; Choi, Sunghwan; Kim, Woo Youn, JOURNAL OF CHEMICAL THEORY AND COMPUTATION, v.10, no.6, pp.2419 - 2426, 2014-06 |
| Feasibility of Activation Energy Prediction of Gas-Phase Reactions by Machine Learning Choi, Sunghwan; Kim, Yeonjoon; Kim, Jin Woo; Kim, Zeehyo; Kim, Woo Youn, CHEMISTRY-A EUROPEAN JOURNAL, v.24, no.47, pp.12354 - 12358, 2018-08 |
| Feature of Exact Exchange Kohn-Sham Orbitals with Krieger-Li-Iafrate Approximation Kim, Jaewook; Hong, Kwangwoo; Choi, Sunghwan; Kim, Woo Youn, BULLETIN OF THE KOREAN CHEMICAL SOCIETY, v.36, no.3, pp.998 - 1007, 2015-03 |
| Improvement of initial guess via grid-cutting for efficient grid-based density functional calculations Lim, Jaechang; Choi, Sunghwan; Kang, Sungwoo; Kim, Jaewook; Hong, Kwangwoo; Kim, Woo Youn, INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY, v.116, no.19, pp.1397 - 1403, 2016-10 |
| Non-Covalent Self-Assembly and Covalent Polymerization Co-Contribute to Polydopamine Formation Hong, Seonki; Na, Yun Suk; Choi, Sunghwan; Song, In Taek; Kim, Woo Youn; Lee, Haeshin, ADVANCED FUNCTIONAL MATERIALS, v.22, no.22, pp.4711 - 4717, 2012-11 |
| On the achievement of high fidelity and scalability for large-scale diagonalizations in grid-based DFT simulations Choi, Sunghwan; Kim, Woo Youn; Yeom, Min Sun; Ryu, Hoon, INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY, v.118, no.16, 2018-08 |
| Outstanding performance of configuration interaction singles and doubles using exact exchange Kohn-Sham orbitals in real-space numerical grid method Lim, Jaechang; Choi, Sunghwan; Kim, Jaewook; Kim, Woo Youn, JOURNAL OF CHEMICAL PHYSICS, v.145, no.22, 2016-12 |
| Performance of heterogeneous computing with graphics processing unit and many integrated core for hartree potential calculations on a numerical grid Choi, Sunghwan; Kwon, Oh Kyoung; Kim, Jaewook; Kim, Woo Youn, JOURNAL OF COMPUTATIONAL CHEMISTRY, v.37, no.24, pp.2193 - 2201, 2016-09 |
| 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 |
| System-Specific Separable Basis Based on Tucker Decomposition:Application to Density Functional Calculations Woo, Jeheon; Kim, Woo Youn; Choi, Sunghwan, JOURNAL OF CHEMICAL THEORY AND COMPUTATION, v.18, no.5, pp.2875 - 2884, 2022-05 |
| 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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