| Diffusion-based generative AI for exploring transition states from 2D molecular graphs S Kim, J Woo, WY Kim Nature Communications 15 (1), 341, 2024 | 18 | 2024 |
| Dynamic Precision Approach for Accelerating Large-Scale Eigenvalue Solvers in Electronic Structure Calculations on Graphics Processing Units J Woo, S Kim, WY Kim Journal of Chemical Theory and Computation 19 (5), 1457-1465, 2023 | 4 | 2023 |
| GeoTMI: predicting quantum chemical property with easy-to-obtain geometry via positional denoising H Kim, J Woo, S Kim, S Moon, JH Kim, WY Kim Advances in Neural Information Processing Systems 36, 2024 | 3 | 2024 |
| Discrete Diffusion Schr\" odinger Bridge Matching for Graph Transformation JH Kim, S Kim, S Moon, H Kim, J Woo, WY Kim arXiv preprint arXiv:2410.01500, 2024 | 2 | 2024 |
| Gaussian-Approximated Poisson Preconditioner for Iterative Diagonalization in Real-Space Density Functional Theory J Woo, S Kim, WY Kim The Journal of Physical Chemistry A 127 (17), 3883-3893, 2023 | 2 | 2023 |
| Collective Variable Free Transition Path Sampling with Generative Flow Network K Seong, S Park, S Kim, WY Kim, S Ahn arXiv preprint arXiv:2405.19961, 2024 | 1 | 2024 |
| Riemannian Denoising Score Matching for Molecular Structure Optimization with Accurate Energy J Woo, S Kim, JH Kim, WY Kim arXiv preprint arXiv:2411.19769, 2024 | | 2024 |
Woo Youn KimProfessor of Chemistry and Graduate School of Data Science, KAISTAdresse e-mail validée de kaist.ac.kr