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Journal of Chemical Theory and Computation
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February 11, 2026
A Mixed-Precision Approach to a Preconditioned Eigensolver for Efficient Density Functional Calculations on AI-Focused GPUs
Jeheon Woo, Sunghwan Choi
Nature Communications
|
January 6, 2024
Diffusion-based generative AI for exploring transition states from 2D molecular graphs
Seonghwan Kim, Jeheon Woo, Woo Youn Kim
Physical Chemistry Chemical Physics : PCCP
|
August 18, 2022
Neural network-based pseudopotential: development of a transferable local pseudopotential
Jeheon Woo, Hyeonsu Kim, Woo Youn Kim
Journal of Chemical Theory and Computation
|
April 19, 2022
System-Specific Separable Basis Based on Tucker Decomposition: Application to Density Functional Calculations
Jeheon Woo, Woo Youn Kim, Sunghwan Choi
The Journal of Physical Chemistry. A
|
April 24, 2023
Gaussian-Approximated Poisson Preconditioner for Iterative Diagonalization in Real-Space Density Functional Theory
Jeheon Woo, Seonghwan Kim, Woo Youn Kim
Journal of Chemical Theory and Computation
|
February 22, 2023
Dynamic Precision Approach for Accelerating Large-Scale Eigenvalue Solvers in Electronic Structure Calculations on Graphics Processing Units
Jeheon Woo, Seonghwan Kim, Woo Youn Kim
Journal of Chemical Theory and Computation
|
August 27, 2024
Efficient Shift-and-Invert Preconditioning for Multi-GPU Accelerated Density Functional Calculations
Jeheon Woo, Woo Youn Kim, Sunghwan Choi
Nature Computational Science
|
January 2, 2026
Riemannian denoising model for molecular structure optimization with chemical accuracy
Jeheon Woo, Seonghwan Kim, Jun Hyeong Kim, et al.
The Journal of Chemical Physics
|
April 4, 2020
ACE-Molecule: An open-source real-space quantum chemistry package
Sungwoo Kang, Jeheon Woo, Jaewook Kim, et al.
Page
of 1
Search research articles
Search
Showing results (1-10 of 9) with videos related to
Sort By:
Page
of 1
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 GPUs
Jeheon Woo, Sunghwan Choi
Nature Communications
|
January 6, 2024
Diffusion-based generative AI for exploring transition states from 2D molecular graphs
Seonghwan Kim, Jeheon Woo, Woo Youn Kim
Physical Chemistry Chemical Physics : PCCP
|
August 18, 2022
Neural network-based pseudopotential: development of a transferable local pseudopotential
Jeheon Woo, Hyeonsu Kim, Woo Youn Kim
Journal of Chemical Theory and Computation
|
April 19, 2022
System-Specific Separable Basis Based on Tucker Decomposition: Application to Density Functional Calculations
Jeheon Woo, Woo Youn Kim, Sunghwan Choi
The Journal of Physical Chemistry. A
|
April 24, 2023
Gaussian-Approximated Poisson Preconditioner for Iterative Diagonalization in Real-Space Density Functional Theory
Jeheon Woo, Seonghwan Kim, Woo Youn Kim
Journal of Chemical Theory and Computation
|
February 22, 2023
Dynamic Precision Approach for Accelerating Large-Scale Eigenvalue Solvers in Electronic Structure Calculations on Graphics Processing Units
Jeheon Woo, Seonghwan Kim, Woo Youn Kim
Journal of Chemical Theory and Computation
|
August 27, 2024
Efficient Shift-and-Invert Preconditioning for Multi-GPU Accelerated Density Functional Calculations
Jeheon Woo, Woo Youn Kim, Sunghwan Choi
Nature Computational Science
|
January 2, 2026
Riemannian denoising model for molecular structure optimization with chemical accuracy
Jeheon Woo, Seonghwan Kim, Jun Hyeong Kim, et al.
The Journal of Chemical Physics
|
April 4, 2020
ACE-Molecule: An open-source real-space quantum chemistry package
Sungwoo Kang, Jeheon Woo, Jaewook Kim, et al.
Page
of 1