Search

Start a new search
Current filters:
Add filters:
  • Results/Page
  • Sort items by
  • In order
  • Authors/record

Results 1-10 of 16 (Search time: 0.005 seconds).

NO Title, Author(s) (Publication Title, Volume Issue, Page, Issue Date)
1
Scaffold-based molecular design using a graph generative model

Lim, Jaechang; Hwang, Sang-Yeon; Moon, Seokhyun; Kim, Seungsu; Kim, Woo Younresearcher, 10th Triennial Congress of the International Society for Theoretical Chemical Physics, UiT The Arctic University of Norway, 2019-07-15

2
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 Younresearcher, 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

3
Efficient construction of chemical reaction network through Monte Carlo Tree Search

Lee, Kyunghoon; Kim, Jin Woo; Kim, Woo Younresearcher, 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

4
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 Younresearcher, 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

5
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 Younresearcher, 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

6
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 Younresearcher, 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

7
Fast hybrid density functional calculations in real-space numerical grid methods

Kim, Jaewook; Kang, Sungwoo; Kim, Woo Younresearcher, 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

8
Metallocene catalyst design for olefin polymerization using genetic algorithm

Kim, Hyeonsu; Kim, Woo Younresearcher, 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

9
Implement periodic boundary condition in ACE-Molecule

Woo, Jeheon; Kim, Woo Younresearcher, 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

10
An Automated TS Search: Application on ACE-Reaction

Kim, Hyeongwoo; Kim, Woo Younresearcher, 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

rss_1.0 rss_2.0 atom_1.0