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Yi Isaac Yang

Showing results (1-10 of 22) with videos related to

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Journal of Chemical Theory and Computation|May 2, 2018
Refining Collective Coordinates and Improving Free Energy Representation in Variational Enhanced SamplingYi Isaac Yang, Michele Parrinello
The Journal of Physical Chemistry Letters|September 17, 2019
Targeted Adversarial Learning Optimized SamplingJun Zhang, Yi Isaac Yang, Frank Noé
Physical Review Letters|July 20, 2019
Temperature Dependence of Homogeneous Nucleation in IceHaiyang Niu, Yi Isaac Yang, Michele Parrinello
The Journal of Physical Chemistry Letters|October 26, 2018
Combining Metadynamics and Integrated Tempering SamplingYi Isaac Yang, Haiyang Niu, Michele Parrinello
The Journal of Chemical Physics|December 17, 2015
Dual reorientation relaxation routes of water molecules in oxyanion's hydration shell: A molecular geometry perspectiveWen Jun Xie, Yi Isaac Yang, Yi Qin Gao
JACS Au|June 27, 2025
A Sinking Approach to Explore Arbitrary Areas in Free Energy LandscapesZhijun Pan, Maodong Li, Dechin Chen, et al.
The Journal of Physical Chemistry. B|April 8, 2015
Conformational Preadjustment in Aqueous Claisen Rearrangement Revealed by SITS-QM/MM MD SimulationsJun Zhang, Yi Isaac Yang, Lijiang Yang, et al.
The Journal of Chemical Physics|November 10, 2020
Deep learning for variational multiscale molecular modelingJun Zhang, Yao-Kun Lei, Yi Isaac Yang, et al.
The Journal of Chemical Physics|August 24, 2019
Enhanced sampling in molecular dynamicsYi Isaac Yang, Qiang Shao, Jun Zhang, et al.
Journal of Chemical Theory and Computation|June 6, 2022
Enhanced Sampling Simulation Reveals How Solvent Influences Chirogenesis of the Intra-Molecular Diels-Alder ReactionXu Han, Jun Zhang, Yi Isaac Yang, et al.
Pageof 3

Showing results (1-10 of 22) with videos related to

Sort By:
Pageof 3
Journal of Chemical Theory and Computation|May 2, 2018
Refining Collective Coordinates and Improving Free Energy Representation in Variational Enhanced SamplingYi Isaac Yang, Michele Parrinello
The Journal of Physical Chemistry Letters|September 17, 2019
Targeted Adversarial Learning Optimized SamplingJun Zhang, Yi Isaac Yang, Frank Noé
Physical Review Letters|July 20, 2019
Temperature Dependence of Homogeneous Nucleation in IceHaiyang Niu, Yi Isaac Yang, Michele Parrinello
The Journal of Physical Chemistry Letters|October 26, 2018
Combining Metadynamics and Integrated Tempering SamplingYi Isaac Yang, Haiyang Niu, Michele Parrinello
The Journal of Chemical Physics|December 17, 2015
Dual reorientation relaxation routes of water molecules in oxyanion's hydration shell: A molecular geometry perspectiveWen Jun Xie, Yi Isaac Yang, Yi Qin Gao
JACS Au|June 27, 2025
A Sinking Approach to Explore Arbitrary Areas in Free Energy LandscapesZhijun Pan, Maodong Li, Dechin Chen, et al.
The Journal of Physical Chemistry. B|April 8, 2015
Conformational Preadjustment in Aqueous Claisen Rearrangement Revealed by SITS-QM/MM MD SimulationsJun Zhang, Yi Isaac Yang, Lijiang Yang, et al.
The Journal of Chemical Physics|November 10, 2020
Deep learning for variational multiscale molecular modelingJun Zhang, Yao-Kun Lei, Yi Isaac Yang, et al.
The Journal of Chemical Physics|August 24, 2019
Enhanced sampling in molecular dynamicsYi Isaac Yang, Qiang Shao, Jun Zhang, et al.
Journal of Chemical Theory and Computation|June 6, 2022
Enhanced Sampling Simulation Reveals How Solvent Influences Chirogenesis of the Intra-Molecular Diels-Alder ReactionXu Han, Jun Zhang, Yi Isaac Yang, et al.
Pageof 3