Yi Isaac Yang, Ph.D.
|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||ETH Zürich, Zürich, ZH, Switzerland|
|2019-||Institute of Systems Biology||Shenzhen Bay Laboratory|
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|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|
|Zhang J, Yang YI, Noé F. (2019) Targeted Adversarial Learning Optimized Sampling. The Journal of Physical Chemistry Letters|
|Zhang J, Lei YK, Che X, et al. (2019) Deep Representation Learning for Complex Free-Energy Landscapes. The Journal of Physical Chemistry Letters. 5571-5576|
|Yang YI, Shao Q, Zhang J, et al. (2019) Enhanced sampling in molecular dynamics. The Journal of Chemical Physics. 151: 070902|
|Niu H, Yang YI, Parrinello M. (2019) Temperature Dependence of Homogeneous Nucleation in Ice. Physical Review Letters. 122: 245501|
|Yang YI, Niu H, Parrinello M. (2018) Combining Metadynamics and Integrated Tempering Sampling. The Journal of Physical Chemistry Letters. 6426-6430|
|Yang YI, Parrinello M. (2018) Refining Collective Coordinates and Improving Free Energy Representation in Variational Enhanced Sampling. Journal of Chemical Theory and Computation|