Showing results 1 to 6 of 6
Diffusion-based generative AI for exploring transition states from 2D molecular graphs Kim, Seonghwan; Woo, Jeheon; Kim, Woo Youn, NATURE COMMUNICATIONS, v.15, no.1, 2024-01 |
Dynamic Precision Approach for Accelerating Large-Scale Eigenvalue Solvers in Electronic Structure Calculations on Graphics Processing Units Woo, Jeheon; Kim, Seonghwan; Kim, Woo Youn, JOURNAL OF CHEMICAL THEORY AND COMPUTATION, v.19, no.5, pp.1457 - 1465, 2023-03 |
Gaussian-Approximated Poisson Preconditioner for Iterative Diagonalization in Real-Space Density Functional Theory Woo, Jeheon; Kim, Seonghwan; Kim, Woo Youn, JOURNAL OF PHYSICAL CHEMISTRY A, v.127, no.17, pp.3883 - 3893, 2023-05 |
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 |
Neural network-based pseudopotential: development of a transferable local pseudopotential Woo, Jeheon; Kim, Hyeonsu; Kim, Woo Youn, PHYSICAL CHEMISTRY CHEMICAL PHYSICS, v.24, no.34, pp.20094 - 20103, 2022-08 |
System-Specific Separable Basis Based on Tucker Decomposition:Application to Density Functional Calculations Woo, Jeheon; Kim, Woo Youn; Choi, Sunghwan, JOURNAL OF CHEMICAL THEORY AND COMPUTATION, v.18, no.5, pp.2875 - 2884, 2022-05 |
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