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College of Natural Sciences(자연과학대학)Dept. of Chemistry(화학과)

CH-Conference Papers(학술회의논문)

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Collection's Items (Sorted by Submit Date in Descending order): 381 to 400 of 2288

381
Effect of locality of exchange-correlation potential for excited state calculation

김재욱; 홍광우; 임재창; 강성우; 최성환; 황상연; 류성옥; et al, 2019 Molecular Simulation Workshop, KAIST,서울대학교,서강대학교, 2019-01-30

382
Functional interaction between CyaR and ArcZ for fine-tuning of rpoS regulation

김원경; 이영훈, 2019년도 생화학분자생물학회 국제학술대회, 생화학분자생물학회, 2019-06-04

383
Performance of Range-Separated hybrid DFT calculations on real-space Lagrange-sinc basis

강성우; 김우연, 2019 Molecular Simulation Workshop, KAIST,서울대학교,서강대학교, 2019-01-30

384
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

385
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

386
Fast and accurate excited state calculation method for large molecular system

김재욱; 강성우; 임재창; 황상연; 김우연, 2019 KAIST School of Molecular Science BK21 Workshop, BK21, 2019-02-18

387
Accelerating hybrid density functional calculation in real-space numerical grid methods

김재욱; 김우연, 123회 춘계대한화학회, 대한화학회, 2019-04-18

388
Correctly describing vibrational effects on excitation energy transfer: How much quantum nature do we need?

Rhee, Young Min, Telluride Science Research Conference, Telluride Science Research Center, 2019-06-25

389
Predicting drug-target interaction using a novel graph neural network with 3D structure-embedded graph representation

임재창; 류성옥; 박규병; 최요중; 함지연; 김우연, 제130차 대한화학회 물리화학분과회 하계 심포지엄, 대한화학회 물리화학분과회, 2019-07-08

390
Simulating PYP photodynamics with IM/MM: constructing a surface model without a model

Rhee, Young Min, Frontiers in Multiscale Modelling of Photoreceptor Proteins, CECAM, 2019-09-03

391
Effects of energy fluctuations on energy transfers in a complex system: A case study with the FMO Complex

Rhee, Young Min, International Conference on Molecular Energy Transfer in Complex Systems (iCOMET), USTC, 2019-09-23

392
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

393
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

394
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

395
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

396
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

397
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

398
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

399
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

400
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

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