Yi-Pei Li

ResearcherID Scopus Author ID ORCID

Publication Activity (10 Years)

Years Active: 2019-2024
Publications (10 Years): 14

Top Venues

The journal of physical chemistry. A

Journal of chemical theory and computation

Physical chemistry chemical physics : PCCP

Journal of the American Chemical Society

National Taiwan University

University of California Berkeley (PHD)

This page only lists publications with an associated author ORCID identifier.

Affiliation History

National Taiwan University

Taiwan

Assistant Professor :: Chemical Engineering

Massachusetts Institute of Technology

United States

Postdoctoral Associate :: Chemical Engineering

Education History

University of California Berkeley

United States

PHD :: Chemical and Biomolecular Engineering

National Taiwan University

Taiwan

BSC :: Chemical Engineering

Publications

Yu-Chi Kao, Yi-Ming Wang, Jyun-Yi Yeh, Shih-Cheng Li, Kevin C-W Wu, Li-Chiang Lin, Yi-Pei Li
Tailoring parameters for QM/MM simulations: accurate modeling of adsorption and catalysis in zirconium-based metal-organic frameworks. Physical chemistry chemical physics : PCCP 26 (30) (2024)
Yu-Chi Kao, Yi-Ming Wang, Jyun-Yi Yeh, Shih-Cheng Li, Kevin C-W Wu, Li-Chiang Lin, Yi-Pei Li
Tailoring parameters for QM/MM simulations: accurate modeling of adsorption and catalysis in zirconium-based metal-organic frameworks. Physical chemistry chemical physics : PCCP (2024)
Shih-Cheng Li, Haoyang Wu, Angiras Menon, Kevin A Spiekermann, Yi-Pei Li, William H Green
When Do Quantum Mechanical Descriptors Help Graph Neural Networks to Predict Chemical Properties? Journal of the American Chemical Society (2024)
Shih-Cheng Li, Haoyang Wu, Angiras Menon, Kevin A Spiekermann, Yi-Pei Li, William H Green
When Do Quantum Mechanical Descriptors Help Graph Neural Networks to Predict Chemical Properties? Journal of the American Chemical Society 146 (33) (2024)
Yu-Cheng Chang, Yi-Pei Li
Integrating Chemical Information into Reinforcement Learning for Enhanced Molecular Geometry Optimization. Journal of chemical theory and computation (2023)
Chung-Kai Chang, Ting-Rong Ko, Tsai-Yu Lin, Yen-Chun Lin, Hyun Jung Yu, Jong Suk Lee, Yi-Pei Li, Heng-Liang Wu, Dun-Yen Kang
Mixed-linker strategy for suppressing structural flexibility of metal-organic framework membranes for gas separation. Communications chemistry 6 (1) (2023)
Shih-Cheng Li, Yen-Chun Lin, Yi-Pei Li
Comparative Analysis of Uncoupled Mode Approximations for Molecular Thermochemistry and Kinetics. Journal of chemical theory and computation 18 (11) (2022)
Lung-Yi Chen, Ting-Wei Hsu, Tsai-Chen Hsiung, Yi-Pei Li
Deep Learning-Based Increment Theory for Formation Enthalpy Predictions. The journal of physical chemistry. A 126 (41) (2022)
Jyun-Yi Yeh, Shih-Cheng Li, Celine H Chen, Kevin C-W Wu, Yi-Pei Li
Quantum Mechanical Calculations for Biomass Valorization over Metal-Organic Frameworks (MOFs). Chemistry, an Asian journal 16 (9) (2021)
Wei Huan Ho, Shih-Cheng Li, Yi-Ching Wang, Tzu-En Chang, Yi-Ting Chiang, Yi-Pei Li, Chung-Wei Kung
Proton-Conductive Cerium-Based Metal-Organic Frameworks. ACS applied materials & interfaces 13 (46) (2021)
Kabir Ahuja, William H Green, Yi-Pei Li
Learning to Optimize Molecular Geometries Using Reinforcement Learning. Journal of chemical theory and computation 17 (2) (2021)
Gabriele Scalia, Colin A Grambow, Barbara Pernici, Yi-Pei Li, William H Green
Evaluating Scalable Uncertainty Estimation Methods for Deep Learning-Based Molecular Property Prediction. Journal of chemical information and modeling 60 (6) (2020)
Yi-Pei Li, Kehang Han, Colin A Grambow, William H Green
Self-Evolving Machine: A Continuously Improving Model for Molecular Thermochemistry. The journal of physical chemistry. A 123 (10) (2019)
Colin A Grambow, Yi-Pei Li, William H Green
Accurate Thermochemistry with Small Data Sets: A Bond Additivity Correction and Transfer Learning Approach. The journal of physical chemistry. A 123 (27) (2019)

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Publication Activity (10 Years)

Top Topics

Top Venues

Yi-Pei Li