Hsuan-Hao Hsu

MACHINE LEARNING OF CORRELATION BETWEEN MOLECULAR STRUCTURE AND QUANTUM MECHANICAL CALCULATIONS OF SOLVATION CHARACTERISTICS

D. Wong, Jia-Lin Kang, Jie-Jiun Chang, 2019 .

Conformational Sampling for Transition State Searches on a Computational Budget.

B. Savoie, Hsuan-Hao Hsu, Qiyuan Zhao, 2022, Journal of chemical theory and computation.

New Data Structure for Computational Molecular Design with Atomic or Fragment Resolution

Shiang-Tai Lin, Hsuan-Hao Hsu, Chen-Hsuan Huang, 2019, J. Chem. Inf. Model..

Fully Automated Molecular Design with Atomic Resolution for Desired Thermophysical Properties

Shiang-Tai Lin, Hsuan-Hao Hsu, Chen-Hsuan Huang, 2018, Industrial & Engineering Chemistry Research.

Conformational Sampling for Transition State Searches on a Computational Budget.

B. Savoie, Hsuan-Hao Hsu, Qiyuan Zhao, 2021, Journal of chemical theory and computation.