Showing results 1 to 20 of 20
Acceleration of evaluation of Hartree Potential via Heterogeneous computing with Graphical Process Units and Many Integrated Cores Choi, Sunghwan; Kwon, Oh Kyoung; Kim, Jaewook; Kim, Woo Youn, The seventh asia-pacific conference of theoretical and computational chemistry, National Tsing Hua University, 2016-01-27 |
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 |
Configuration interaction singles and doubles using exact exchange kohn sham orbital in real- space grid method LIM, JAE; Kim, Jaewook; Choi, Sunghwan; Kim, Woo Youn, 11th Triennial Congress of the World Association of Theoretical and Computational Chemists, Ludwig-Maximilians-Universität (LMU), 2017-08-29 |
Configuration interaction singles and doubles using Kohn-Sham orbitals with local exchange potential Lim, Jaechang; Choi, Sunghwan; Kim, Jaewook; Kim, Woo Youn, 4th Conference on Theory and Applications of Computational Chemistry, University of Washington, 2016-08-30 |
Configurational Interaction method using Kohn-Sham Orbitals for the real-space numerical grid based DFT program Kim, Jaewook; Lim, Jaechang; Hong, Kwang Woo; Choi, Sunghwan; Hwang, Sang Yeon; Kim, Woo Youn, The seventh asia-pacific conference of theoretical and computational chemistry, National Tsing Hua University, 2016-01-27 |
Development of a DFT code using Lagrange-sinc functions as a basis set and its numerical accuracy Choi, Sunghwan; Hong, Kwang-Woo; Kim, Jaewook; Kim, Woo-Youn, 19th International Workshop on Quantum Systems in Chemistry, Physics and Biology (QSCP-XIX), Tamkang University, 2014-11-12 |
Developments of electronic structure calculation program 'ACE-Molecule' : Implementations of supersampling method and geometry optimization Rheu, Seongok; Choi, Sunghwan; Hong, Kwang Woo; Kim, Jaewook; Kang, Sungwoo; Hwang, Sang Yeon; LIM, JAE; et al, 제 12회 고등과학원 전자구조계산학회, 고등과학원, 2016-06-16 |
Fast hybrid density functional calculations in real-space numerical grid methods Kim, Jaewook; Kang, Sungwoo; 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 |
Features of local exact exchange functional in hybrid functionals for excited state calculation with time-dependent density functional theory Kim, Jaewook; Hong, Kwang Woo; Hwang, Sang Yeon; Rheu, Seongok; Choi, Sunghwan; Kim, Woo Youn, 제 12회 고등과학원 전자구조계산학회, 고등과학원, 2016-06-16 |
Implementation of Lagrange function-based density functional theory and its applications Choi, Sunghwan; Hong, Kwang-Woo; Kim, Jaewook; Kim, Woo-Youn, 10th Triennial Congress of the World Association of Theoretical and Computational Chemists(WATOC 2014), Pontificia Universidad Católica de Chile, 2014-10-07 |
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 |
Investigation of Chemical Applicability of Lagrange-sinc basis for Density Functional Calculations Hong, Kwang-Woo; Choi, Sunghwan; Kim, Jaewook; Kim, Woo-Youn, Hands-on Summer School: Electronic Structure Theory for Materials and (Bio)molecules, UCLA Institue for Pure & Applied Mathematics, 2014-07-21 |
Investigation of Lagrange-sinc Function as Basis Set for Density Functional Theory in terms of Chemical Accuracy Choi, Sunghwan; Hong, Kwang-Woo; Kim, Jaewook; Kim, Woo-Youn, Current Topics in Theoretical Chemistry 2014, International academy of quantum molecular science, 2014-08-25 |
Massively Parallelized Evaluation of Orbital Dependent Exchange Potential in Real Space Formula Choi, Sunghwan; Hong, Kwang-Woo; Kim, Jaewook; Kim, Woo-Youn, IUPAC-2015, Korean Chemical Society, 2015-08-13 |
Nonempirically tuned range-separated hybrid with Gaussian attenuated kernel and local exact exchange for optical spectra of transition metal complexes Kang, Sungwoo; Kim, Jaewook; 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 |
Numerical accuracy of Lagrange-sinc basis set for atoms and molecules in density functional calculations Hong, Kwang-Woo; Choi, Sunghwan; Kim, Jaewook; Kim, Woo-Youn, IUPAC-2015, Korean Chemical Society, 2015-08-13 |
Performance of a DFT code using Lagrange-sinc basis set for ground and excited state calculations: Exact exchange and Multiconfiguration effects Choi, Sunghwan; Hong, Kwangwoo; Kim, Jaewook; Kim, Woo-Youn, The 9th International Conference on Computational Physics, National University of Singapore, 2015-01-07 |
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 |
Role of local exact exchange potential in hybrid functionals for accurate excited state calculations Kim, Jaewook; Hong, Kwang Woo; Hwang, Sang Yeon; Rheu, Seongok; Choi, Sunghwan; Kim, Woo Youn, 4th Conference on Theory and Applications of Computational Chemistry, University of Washington, 2016-08-30 |
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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