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Yi Isaac Yang, Ph.D.

Affiliations:	2006-2010	School of Materials Science and Engineering	Shandong University, Jinan Shi, Shandong Sheng, China
	2010-2015	College of Chemistry and Molecular Engineering	Peking University, Beijing, Beijing Shi, China
	2016-2019	Department of Chemistry and Applied Biosciences	Eidgenössische Technische Hochschule Zürich, Zürich, ZH, Switzerland
	2019-	Institute of Systems Biology	Shenzhen Bay Laboratory

Area:

Theoretical Chemistry

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Yi Qin Gao	grad student	2010-2015	Peking University
Michele Parrinello	post-doc	2016-2019	ETH Zürich

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Yuan S, Han X, Zhang J, et al. (2024) Generating High-Precision Force Fields for Molecular Dynamics Simulations to Study Chemical Reaction Mechanisms Using Molecular Configuration Transformer. The Journal of Physical Chemistry. A
Zhang J, Liu S, Chen M, et al. (2023) Unsupervisedly Prompting AlphaFold2 for Accurate Few-Shot Protein Structure Prediction. Journal of Chemical Theory and Computation
Zhang J, Chen D, Xia Y, et al. (2023) Artificial Intelligence Enhanced Molecular Simulations. Journal of Chemical Theory and Computation
Lei YK, Zhang Z, Han X, et al. (2022) Locating Transition Zone in Phase Space. Journal of Chemical Theory and Computation
Li M, Zhang J, Niu H, et al. (2022) Phase Transition between Crystalline Variants of Ordinary Ice. The Journal of Physical Chemistry Letters. 13: 8601-8606
Han X, Zhang J, Yang YI, et al. (2022) Enhanced Sampling Simulation Reveals How Solvent Influences Chirogenesis of the Intra-Molecular Diels-Alder Reaction. Journal of Chemical Theory and Computation
Zhang J, Lei YK, Zhang Z, et al. (2021) Deep reinforcement learning of transition states. Physical Chemistry Chemical Physics : Pccp
Zhang J, Lei YK, Yang YI, et al. (2020) Deep learning for variational multiscale molecular modeling. The Journal of Chemical Physics. 153: 174115
Zhang J, Lei YK, Zhang Z, et al. (2020) A Perspective on Deep Learning for Molecular Modeling and Simulations. The Journal of Physical Chemistry. A
Zhang J, Lei YK, Zhang Z, et al. (2020) A Perspective on Deep Learning for Molecular Modeling and Simulations. The Journal of Physical Chemistry. B

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