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Journal of Chemical Theory and Computation|February 11, 2026
A Mixed-Precision Approach to a Preconditioned Eigensolver for Efficient Density Functional Calculations on AI-Focused GPUsJeheon Woo, Sunghwan ChoiJournal of Chemical Theory and Computation|April 19, 2022
System-Specific Separable Basis Based on Tucker Decomposition: Application to Density Functional CalculationsJeheon Woo, Woo Youn Kim, Sunghwan ChoiJournal of Chemical Theory and Computation|August 27, 2024
Efficient Shift-and-Invert Preconditioning for Multi-GPU Accelerated Density Functional CalculationsJeheon Woo, Woo Youn Kim, Sunghwan ChoiThe Journal of Chemical Physics|April 4, 2020
ACE-Molecule: An open-source real-space quantum chemistry packageSungwoo Kang, Jeheon Woo, Jaewook Kim, et al.Nature Communications|January 6, 2024
Diffusion-based generative AI for exploring transition states from 2D molecular graphsSeonghwan Kim, Jeheon Woo, Woo Youn KimNature Communications|March 1, 2023
Prediction of transition state structures of gas-phase chemical reactions via machine learningSunghwan ChoiPhysical Chemistry Chemical Physics : PCCP|August 18, 2022
Neural network-based pseudopotential: development of a transferable local pseudopotentialJeheon Woo, Hyeonsu Kim, Woo Youn KimThe Journal of Physical Chemistry. A|April 24, 2023
Gaussian-Approximated Poisson Preconditioner for Iterative Diagonalization in Real-Space Density Functional TheoryJeheon Woo, Seonghwan Kim, Woo Youn KimJournal of Chemical Theory and Computation|February 22, 2023
Dynamic Precision Approach for Accelerating Large-Scale Eigenvalue Solvers in Electronic Structure Calculations on Graphics Processing UnitsJeheon Woo, Seonghwan Kim, Woo Youn KimNature Computational Science|January 2, 2026
Riemannian denoising model for molecular structure optimization with chemical accuracyJeheon Woo, Seonghwan Kim, Jun Hyeong Kim, et al.Pageof 4