Showing results 4 to 34 of 34
Carbon Dioxide on Carbon Substituted Boron Nitride Nanotube (BNNT) Choi, Sunghwan; Park, Young Choon; Kim, Yong-Hyun; Lee, Yoon Sup; Kim, Woo Youn, Asia-Pacific Conference of Theoretical and Computational Chemistry 6 (APCTCC 6), Postech, KAIST, Sungkyunkwan Univ., 2013-07-12 |
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 calculation based on the real-space numerical grid method using Kohn-Sham orbitals Kim, Jae Wook; Hong, Kwang Woo; Choi, Sung Hwan; Hwang, Sang Yeon; Kim, Woo Youn, 16th International Conference on Density Functional Theory and its Applications(DFT2015), University of Debrecen, 2015-09-01 |
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 김우연, 제12회 고등과학원 전자구조계산학회, 고등과학원, 2016-06-16 |
Development of Real Space Density Functional Theory with Highly Parallelized Computing 최성환; 홍광우; 김우연, 제116차 대한화학회 물리화학분과 하계 심포지움, 대한화학회 물리화학분과, 2014-06-26 |
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 |
Efficient Basin-Hopping Sampling of Reaction Intermediates Through Fragmented Molecules Kim, Yeon Joon; Choi, Sunghwan; Kim, Woo-Youn, Asian CORE Winter School on Frontiers of Molecular, Photo-, and Material Sciences, Institute of Atomic and Molecular Sciences, Academia Sinica, 2014-02-24 |
Efficient Grid-based Electronic Structure Calculations 김우연, Korea Supercomputing Conference 2015, 한국과학기술정보연구원, 2015-10-08 |
Efficient method for sampling intermediates of chemical reactions: Basin-hopping with molecular fragmentation and graph theory Kim, Yeon Joon; Choi, Sunghwan; Kim, Woo-Youn, IUPAC-2015, Korean Chemical Society, 2015-08-10 |
Efficient Sampling of Reaction Intermediates Using Basin-Hopping with Molecular Fragmentation and Graph Theory Kim, Yeonjoon; Choi, Sunghwan; Kim, Woo Youn, 제116차 대한화학회 물리화학분과 하계 심포지움, 대한화학회 물리화학분과, 2014-06-26 |
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 |
Finding reaction pathways 김우연, 대한화학회 청암 심포지움, 대한화학회, 2014-04-16 |
Implementation of the double grid technique in real space Kohn-Sham method for fast and accurate calculations Ryu, Seong Ok; Choi, Sung Hwan; Kim, Woo Youn, 16th International Conference on Density Functional Theory and its Applications(DFT2015), University of Debrecen, 2015-09-03 |
Implementation of the Projector Augmented Wave Method in a Lagrange-sinc-based DFT code Kang, Sungwoo; Kim, Woo-Youn, IUPAC-2015, Korean Chemical Society, 2015-08-13 |
Importance of local exact exchange potential for accurate excited state calculation Kim, Woo Youn, 4th Conference on Theory and Applications of Computational Chemistry, University of Washington, 2016-09-02 |
Lagrange-sinc basis set for efficient electronic structure calculations Kim, Woo Youn, 250th American Chemical Society National Meeting & Exposition, American Chemical Society, 2015-08-19 |
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 |
Molecular Simulation on Electron Transport Kim, Woo Youn, International Workshop of Computational NanoMaterials Design on Green Energy, S-1 JSPS Core-to-Core Program (A) Advanced Research Networks, Interactive Materials Science Program (IMSC), Osaka University, 2013-06-18 |
New Computational Methods for Finding Reaction Paths 김우연, 제116차 대한화학회 물리화학분과 하계 심포지움, 대한화학회 물리화학분과, 2014-06-28 |
New way of making initial guess for Iterative Self Consistent Field Procedure in Grid based method Lim, Jaechang; Choi, Sunghwan; Kang, Sungwoo; Hong, Kwang-Woo; Kim, Woo-Youn, IUPAC-2015, Korean Chemical Society, 2015-08-13 |
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 |
Quantum simulation of electron transport in molecular systems 김우연, KCC Open Seminar, KAIST 나노융합연구소(KI NanoCentury), 2013-03-11 |
Representation performances of derivatives in Finite Difference Method Choi, Sunghwan; Hong, Kwangwoo; Kim, Woo-Youn, 2014 KAIST-KYOTO-NTHU Junior Chemist Symposium, KAIST, Kyoto University, National Tsing Hua University, 2014-02-11 |
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 |
Spin-Dependent Fano Resonance for Large Magnetoresistance Ratio Spin-Valve Device Hong, Kwangwoo; Kim, Woo Youn, Asia-Pacific Conference of Theoretical and Computational Chemistry 6 (APCTCC 6), Postech, KAIST, Sungkyunkwan Univ., 2013-07-11 |
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 |
The computational study on pi-accepting ability of Bicyclic Bridgehead Phosphoramidite(Briphos) using NBO method Lee, An Soo; Ahn, Seihwan; KANG, KYUNGJUN; Kim, Woo Youn; Kim, Hyunwoo, 제116차 대한화학회 물리화학분과 하계 심포지움, 대한화학회 물리화학분과, 2014-06-26 |
Time-dependent Density Functional Theory for Quantum Transport Kim, Woo Youn, Asia-Pacific Conference of Theoretical and Computational Chemistry 6 (APCTCC 6), Postech, KAIST, Sungkyunkwan Univ., 2013-07-11 |
Toward ultrafast and inexpensive DNA sequencing Kim, Woo Youn, A satellite meeting of STATPHYS 25, Center for Space-Time Molecular Dynamics, 2013-07-09 |
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