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자료유형
발행연도
2024 ~ 2026
2024 2026
키워드
언어
전체 4건 중 1번부터 4번까지의 결과를 표시합니다.
2026
Article
A Mixed-Precision Approach to a Preconditioned Eigensolver for Efficient Density Functional Calculations on AI-Focused GPUs
- Woo, Jeheon ;
- Choi, Sunghwan
- 2026-02-24
- Journal of Chemical Theory and Computation
- AMER CHEMICAL SOC
2025
Article
Hybridization of SMILES and chemical-environment-aware tokens to improve performance of molecular structure generation
- Han, Herim ;
- Yeom, Min Sun ;
- Choi, Sunghwan
- 2025-05-15
- Scientific Reports
- Nature Publishing Group
Article
Employing Automated Machine Learning (AutoML) Methods to Facilitate the In Silico ADMET Properties Prediction
- Han, Herim ;
- Shaker, Bilal ;
- Lee, Jin Hee ;
- Choi, Sunghwan ;
- Yoon, Sanghee ;
- 외 8명
- 2025-03
- Journal of Chemical Information and Modeling
- American Chemical Society
2024
Article
Efficient Shift-and-Invert Preconditioning for Multi-GPU Accelerated Density Functional Calculations
- Woo, Jeheon ;
- Kim, Woo Youn ;
- Choi, Sunghwan
- 2024-08-27
- Journal of Chemical Theory and Computation
- American Chemical Society