Results 51-60 of 66 (Search time: 0.012 seconds).
NO | Title, Author(s) (Publication Title, Volume Issue, Page, Issue Date) |
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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 | |
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 | |
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 | |
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 | |
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 | |
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 | |
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 | |
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 | |
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 | |
Uncertainty quantification of molecule property predictions using Bayesian neural network models Ryu, Seongok; Kwon, Yongchan; Kim, Woo Youn, Workshop on "Machine Learning for Molecules and Materials", 32nd Neural Information Processing Systems, NeurIPS Foundation, 2018-12-08 |
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