Showing results 1 to 3 of 3
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 |
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