Yi Isaac Yang (Yi I Yang)

ResearcherID ORCID

Publication Activity (10 Years)

Years Active: 2018-2024
Publications (10 Years): 14

Top Venues

Journal of chemical theory and computation

The journal of physical chemistry letters

The journal of physical chemistry. A

The Journal of chemical physics

Shenzhen Bay Laboratory

Peking University (PHD)

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

Affiliation History

Shenzhen Bay Laboratory Apr 01 2019

China

Research Associate Professor :: Institute of Systems Biology

Eidgenössische Technische Hochschule Zürich Jan 08 2016 - Feb 26 2019

Switzerland

Postdoctoral Researcher :: Department of Chemistry and Applied Biosciences

Università della Svizzera Italiana Jan 08 2016 - Feb 26 2019

Switzerland

Postdoctoral Researcher :: Institute of Computational Science

Peking University Sep 01 2015 - Jan 04 2016

China

Research Assistant :: College of Chemistry and Molecular Engineering

Education History

Peking University Sep 01 2010 - Jul 01 2015

China

PHD :: College of Chemistry and Molecular Engineering

Shandong University Sep 01 2006 - Jun 30 2010

China

BSC :: College of Material Science and Engineering

Publications

Sihao Yuan, Xu Han, Jun Zhang, Zhaoxin Xie, Cheng Fan, Yunlong Xiao, Yi Qin Gao, Yi Isaac Yang
Generating High-Precision Force Fields for Molecular Dynamics Simulations to Study Chemical Reaction Mechanisms Using Molecular Configuration Transformer. The journal of physical chemistry. A (2024)
Sihao Yuan, Xu Han, Jun Zhang, Zhaoxin Xie, Cheng Fan, Yunlong Xiao, Yi Qin Gao, Yi Isaac Yang
Generating High-Precision Force Fields for Molecular Dynamics Simulations to Study Chemical Reaction Mechanisms Using Molecular Configuration Transformer. The journal of physical chemistry. A 128 (21) (2024)
Jun Zhang, Dechin Chen, Yijie Xia, Yu-Peng Huang, Xiaohan Lin, Xu Han, Ningxi Ni, Zidong Wang, Fan Yu, Lijiang Yang, Yi Isaac Yang, Yi Qin Gao
Artificial Intelligence Enhanced Molecular Simulations. Journal of chemical theory and computation (2023)
Jun Zhang, Sirui Liu, Mengyun Chen, Haotian Chu, Min Wang, Zidong Wang, Jialiang Yu, Ningxi Ni, Fan Yu, Dechin Chen, Yi Isaac Yang, Boxin Xue, Lijiang Yang, Yuan Liu, Yi Qin Gao
Unsupervisedly Prompting AlphaFold2 for Accurate Few-Shot Protein Structure Prediction. Journal of chemical theory and computation (2023)
Maodong Li, Jun Zhang, Haiyang Niu, Yao-Kun Lei, Xu Han, Lijiang Yang, Zhi-Qiang Ye, Yi Isaac Yang, Yi Qin Gao
Phase Transition between Crystalline Variants of Ordinary Ice. The journal of physical chemistry letters 13 (36) (2022)
Xu Han, Jun Zhang, Yi Isaac Yang, Zhen Zhang, Lijiang Yang, Yi Qin Gao
Enhanced Sampling Simulation Reveals How Solvent Influences Chirogenesis of the Intra-Molecular Diels-Alder Reaction. Journal of chemical theory and computation 18 (7) (2022)
Yao-Kun Lei, Zhen Zhang, Xu Han, Yi Isaac Yang, Jun Zhang, Yi Qin Gao
Locating Transition Zone in Phase Space. Journal of chemical theory and computation 18 (10) (2022)
Jun Zhang, Yao-Kun Lei, Yi Isaac Yang, Yi Qin Gao
Deep learning for variational multiscale molecular modeling. The Journal of chemical physics 153 (17) (2021)
Jun Zhang, Yao-Kun Lei, Zhen Zhang, Junhan Chang, Maodong Li, Xu Han, Lijiang Yang, Yi Isaac Yang, Yi Qin Gao
A Perspective on Deep Learning for Molecular Modeling and Simulations. The journal of physical chemistry. A 124 (34) (2020)
Jun Zhang, Yao-Kun Lei, Xing Che, Zhen Zhang, Yi Isaac Yang, Yi Qin Gao
Deep Representation Learning for Complex Free-Energy Landscapes. The journal of physical chemistry letters 10 (18) (2019)
Jun Zhang, Yi Isaac Yang, Frank Noé
Targeted Adversarial Learning Optimized Sampling. The journal of physical chemistry letters 10 (19) (2019)
Dan Mendels, Giovannimaria Piccini, Zacharias Faidon Brotzakis, Yi Isaac Yang, Michele Parrinello
Folding a small protein using harmonic linear discriminant analysis. The Journal of chemical physics 149 (19) (2018)
Yi Isaac Yang, Michele Parrinello
Refining Collective Coordinates and Improving Free Energy Representation in Variational Enhanced Sampling. Journal of chemical theory and computation 14 (6) (2018)
Yi Isaac Yang, Haiyang Niu, Michele Parrinello
Combining Metadynamics and Integrated Tempering Sampling. The journal of physical chemistry letters 9 (22) (2018)

Yi Isaac Yang.css-eqlu8i{font-size:small;padding-left:4px;} (Yi I Yang)

Publication Activity (10 Years)

Top Topics

Top Venues

Yi Isaac Yang (Yi I Yang)