Browse "CH-Conference Papers(학술회의논문)" by Author Kim, Woo Youn
Showing results 1 to 60 of 66
| 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 |
| Acceleration of Self-Consistent Field Procedure for Grid based method via High Quality Initial Guess Choi, Sung Hwan; Lim, Jae Chang; Kang, Sung Woo; Hong, Kwang Woo; Kim, Woo Youn, 16th International Conference on Density Functional Theory and its Applications(DFT2015) , University of Debrecen, 2015-09-01 |
| Accurate Simulation of Excited States using Hybrid Density Functionals Kim, Woo Youn, The 9th Conference of the Asian Consortium on Computational Materials Science, University of Malaya, 2017-08-11 |
| An Automated TS Search: Application on ACE-Reaction Kim, Hyeongwoo; 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 |
| Applications of Fano resonance to the design of novel nanoelectronic devices Kim, Woo Youn, 2012 NTHU-KAIST-KYOTO Junior Chemist Symposium, NTHU, KAIST, Kyoto university, 2012-02-15 |
| Automated Prediction of Chemical Reaction Paths Through Graph-Theoretic Approach Kim, Yeonjoon; Kim, Jin Woo; Lee, Kyunghoon; Kim, Woo Youn, The 23rd International Annual Symposium on Computational Science and Engineering, pp.34, Chiang Mai University, 2019-06-27 |
| Automated prediction of reaction paths using molecular graphs and chemical reaction network Kim, Yeonjoon; Kim, JinWoo; KIM, ZEEHYO; Kim, Woo Youn, Eighth edition of Asia-Pacific Conference of Theoretical and Computational Chemistry (APCTCC 8), Indian Institute of Technology Bombay, 2017-12-17 |
| Automated searching for reaction paths using molecular graphs Kim, Yeonjoon; Kim, JinWoo; KIM, ZEEHYO; Kim, Woo Youn, 2017 Korean-French Joint Symposium, Kangwon National University, 2017-09-19 |
| Automated searching method for reaction paths using molecular graphs and chemical reaction network Kim, Yeonjoon; Kim, JinWoo; KIM, ZEEHYO; Kim, Woo Youn, 11th Triennial Congress of the World Association of Theoretical and Computational Chemists, Ludwig-Maximilians-Universität (LMU), 2017-08-28 |
| 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 |
| Can Circularly Polarized Light Dominate Supramolecular Chirality: Over Molecular Chirality? Kang, Jun Soo; Seo, Myungeun; Kang, Sungwoo; Kim, Woo Youn, ACS Spring 2022 In-Person & Virtual Meetings & Expos, American Chemical Society, 2022-03-22 |
| Capturing Carbon Dioxide with Boron Nitride Nanotube with Antisites Choi, Sunghwan; Park, Young C.; Kim, Yong-Hyun; Lee, Yoon Sup; Kim, Woo Youn, 2013 Asian Core Winter School, KAIST department of chemistry, SNU CMD, KAIST MIRC, 2013-01-28 |
| 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 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 |
| Configuration interactions based on the real-space numerical grid method: KohnSham vs HartreeFock orbitals Kim, Woo Youn, POSTECH Satellite Meeting on “Chemistry & Light”, POSTECH, 2015-08-07 |
| 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 |
| Density functional theory for accurate potential energy surfaces. Kim, Woo Youn, The international chemical congress of Pacific basin societies 2015, Pacifichem, Inc., 2015-12-18 |
| 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 |
| Drug discovery based on graph neural networks and deep generative models Kim, Woo Youn, International Scientific Symposium on Artificial Intelligence - driven phenomic-based drug discovery, Institut Pasteur Korea, 2019-04-24 |
| Efficient algorithm of finding chemical reaction pathways: Stochastic and deterministic Kim, Yeon Joon; Choi, Sung Hwan; Kim, Jin Woo; Kim, Woo Youn, The international chemical congress of Pacific basin societies 2015, Pacifichem, Inc., 2015-12-18 |
| Efficient construction of chemical reaction network through Monte Carlo Tree Search Lee, Kyunghoon; Kim, Jin Woo; 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 |
| Efficient graph-based method for finding reaction pathways through stochastic and deterministic intermediate samplings Kim, Yeonjoon; Choi, Sunghwan; Kim, Jin Woo; Kim, Jihyo; Kim, Woo Youn, 4th Conference on Theory and Applications of Computational Chemistry, University of Washington, 2016-08-30 |
| Efficient hybrid density functional calculations in real-space numerical grid methods Kim, Woo Youn, 10th Triennial Congress of the International Society for Theoretical Chemical Physics (ISTCP 2019), UiT The Arctic University of Norway, 2019-07-15 |
| Efficient method for automated prediction of reaction paths through graph-theoretic analysis Kim, Yeonjoon; Kim, JinWoo; Choi, Sunghwan; KIM, ZEEHYO; Kim, Woo Youn, 제 124차 물리화학분과회 하계 심포지엄 &한일 분자과학 심포지엄, 대한화학회 물리분과회, 2017-07-11 |
| Efficient Reaction Prediction Method (ACE-Reaction) with Fully Automated Network Construction and its Performance on Named-Organic Reactions Kim, Jin Woo; Lee, Kyunghoon; 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 |
| 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 |
| Fano resonance driven novel spin-valve effect Hong, Kwangwoo; Kim, Woo Youn, 2012 NTHU-KAIST-KYOTO Junior Chemist Symposium, NTHU, KAIST, Kyoto university, 2012-02-15 |
| Fano resonance driven spin-valve effect through single-molecule magnets coupled to a carbon nanotube Hong, Kwangwoo; Kim, Woo Youn, 제 110차 대한화학회 물리화학분과 하계 심포지움, 대한화학회 물리화학분과, 2012-06-28 |
| Fano Resonance in Molecular Electronics: Molecular Sensor and Spin-Valve Device Kim, Woo Youn, Annual World Congress of Smart Materials-2016, BIT Congress Inc., 2016-03-04 |
| Fano Resonance-Driven Spin-Valve Effect Using Single-Molecule Magnets Hong, Kwangwoo; Kim, Woo Youn, 2013 Asian Core Winter School, pp.3389 - 3393, KAIST department of chemistry, SNU CMD, KAIST MIRC, 2013-01-28 |
| 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 |
| How supramolecular chirality is evolved by photon-to-matter chirality transfer Kang, Jun Soo; Seo, Myungeun; Kang, Sungwoo; Kim, Woo Youn, ACS Fall 2022 In-Person & Virtual Meetings & Expos, American Chemical Society, 2022-08-23 |
| Hybrid functionals with local exchange potential Kim, Woo Youn, The seventh asia-pacific conference of theoretical and computational chemistry, National Tsing Hua University, 2016-01-26 |
| Implement periodic boundary condition in ACE-Molecule Woo, Jeheon; 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 |
| 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 |
| 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 |
| 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 |
| In silico fast DNA sequencing with a nanochannel device Kim, Woo Youn, The 13th Asia Pacific Symposium on Microscale Separation and Analysis, The Korean BioChip Society (KBCS), 2013-11-04 |
| 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 |
| Metallocene catalyst design for olefin polymerization using genetic algorithm Kim, Hyeonsu; 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 |
| Modification of Lanczos method for high fidelity and scalability for electronic structure calculations Choi, Sunghwan; Kim, Woo Youn; Ryu, Hoon, The 57th Sanibel Symposium, University of Florida, 2017-02-21 |
| 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 |
| Molecular Simulation on Quantum Transport Kim, Woo Youn, 2013 Asian Core Winter School, KAIST department of chemistry, SNU CMD, KAIST MIRC, 2013-01-28 |
| 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 |
| Performance of a DFT code using Lagrange-sinc basis set for ground and excited state calculations: Exact exchange and multiconfiguration effects Kim, Woo Youn, Numerical Methods for Quantum Chemistry, Centre for Theoretical and Computational Chemistry, 2015-01-15 |
| 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 |
| Predicting drug-target interaction using 3D structure-embedded graph representations from graph neural networks Lim, Jaechang; Ryu, Seongok; Park, Kyubyong; Choe, Yo Joong; Ham, Jiyeon; 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, 2019-11-05 |
| Prediction of Chemical Reaction Paths through Graph-Theoretic Approach Kim, Woo Youn, The 2019 Asia-Pacific Association of Theoretical and Computational Chemists, APATCC 2019, 2019-10-03 |
| 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 |
| Real-Time Electron Dynamics using TDDFT Kim, Woo Youn, China-Japan-Korea Computational Chemistry Workshop(CJK-WTCC), China-Japan-Korea Computational Chemistry Workshop, 2012-07-19 |
| Role of Exact Exchange for Accurate Excited State Calculations Kim, Woo Youn, The 19th Asian Workshop on First-Principles Electronic Structure Calculations (ASIAN-19), National Chiao Tung University, 2016-11-02 |
| 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 |
| 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 |
| 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 |
| 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 |
| Structure-based drug discovery using deep neural networks Kim, Woo Youn, 2019 KSBMB International Conference, KSBMB, 2019-06-05 |
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