Jeheon Woo

Korea Advanced Institute of Science and Technology — South Korea

Materials Science · Physical Sciences

4h-index100citations17works6.62yr avg
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Research Topics

Machine Learning in Materials Science(8), Computational Drug Discovery Methods(5), Advanced Chemical Physics Studies(4), Protein Structure and Dynamics(4), Advanced NMR Techniques and Applications(4)

Publications17 total

A Mixed-Precision Approach to a Preconditioned Eigensolver for Efficient Density Functional Calculations on AI-Focused GPUs
Journal of Chemical Theory and Computation·2026
Riemannian denoising model for molecular structure optimization with chemical accuracy
Nature Computational Science·2026
Riemannian Denoising Score Matching for Molecular Structure Optimization with Chemical Accuracy
2025Open Access
Riemannian Denoising Model for Molecular Structure Optimization with Chemical Accuracy
arXiv (Cornell University)·2024Open Access
Discrete Diffusion Schrödinger Bridge Matching for Graph Transformation
arXiv (Cornell University)·2024Open Access
Efficient Shift-and-Invert Preconditioning for Multi-GPU Accelerated Density Functional Calculations
Journal of Chemical Theory and Computation·2024· 2 citedOpen Access
Diffusion-based generative AI for exploring transition states from 2D molecular graphs
Nature Communications·2024· 44 citedOpen Access
Reproducibility of "Diffusion-based Generative AI for Exploring Transition States from 2D Molecular Graphs"
Zenodo (CERN European Organization for Nuclear Research)·2023· 1 citedOpen Access
Diffusion-based Generative AI for Exploring Transition States from 2D Molecular Graphs
Research Square (Research Square)·2023· 2 citedOpen Access
Gaussian-Approximated Poisson Preconditioner for Iterative Diagonalization in Real-Space Density Functional Theory
The Journal of Physical Chemistry A·2023· 2 cited
Diffusion-based Generative AI for Exploring Transition States from 2D Molecular Graphs
arXiv (Cornell University)·2023· 2 citedOpen Access
GeoTMI:Predicting quantum chemical property with easy-to-obtain geometry via positional denoising
arXiv (Cornell University)·2023· 3 citedOpen Access
Dynamic Precision Approach for Accelerating Large-Scale Eigenvalue Solvers in Electronic Structure Calculations on Graphics Processing Units
Journal of Chemical Theory and Computation·2023· 4 cited
System-Specific Separable Basis Based on Tucker Decomposition: Application to Density Functional Calculations
Journal of Chemical Theory and Computation·2022· 8 citedOpen Access
Neural network-based pseudopotential: development of a transferable local pseudopotential
Physical Chemistry Chemical Physics·2022· 14 cited
ACE-Molecule: An open-source real-space quantum chemistry package
The Journal of Chemical Physics·2020· 18 citedOpen Access
Implement periodic boundary condition in ACE-Molecule
2019

Frequent Co-authors

Woo Youn Kim(14), Seonghwan Kim(5), Jun Hyeong Kim(5), Seong-Hwan Kim(3), Hyeonsu Kim(3), Sunghwan Choi(3), Seong-Hwan Kim(2), Seokhyun Moon(2), Sungwoo Kang(1), Jaewook Kim(1), Yongjun Kim(1), Jaechang Lim(1), Hyeongwoo Kim(1), Sunghwan Choi(1), Seonghwan Kim(1), Woo Youn Kim(1)