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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 
Theoretical Chemistry
"Yi Isaac Yang"
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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
Zhang J, Zhang Z, Yang YI, et al. (2017) Rich Dynamics Underlying Solution Reactions Revealed by Sampling and Data Mining of Reactive Trajectories. Acs Central Science. 3: 407-414
Fu J, Yang YI, Zhang J, et al. (2016) Structural Characteristics of Homogeneous Hydrophobic Ionic Liquid-HNO3-H2O Ternary System: Experimental Studies and Molecular Dynamics Simulations. The Journal of Physical Chemistry. B
Yang YI, Zhang J, Che X, et al. (2016) Efficient sampling over rough energy landscapes with high barriers: A combination of metadynamics with integrated tempering sampling. The Journal of Chemical Physics. 144: 094105
Yang Y, Xu Y, Han B, et al. (2016) Effects of synthetic conditions on the textural structure of pseudo-boehmite. Journal of Colloid and Interface Science. 469: 1-7
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