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Journal of Chemical Theory and Computation
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October 18, 2021
SGOOP-d: Estimating Kinetic Distances and Reaction Coordinate Dimensionality for Rare Event Systems from Biased/Unbiased Simulations
Sun-Ting Tsai, Zachary Smith, Pratyush Tiwary
The Journal of Chemical Physics
|
October 24, 2019
Reaction coordinates and rate constants for liquid droplet nucleation: Quantifying the interplay between driving force and memory
Sun-Ting Tsai, Zachary Smith, Pratyush Tiwary
The Journal of Physical Chemistry. B
|
November 17, 2021
Toward Automated Sampling of Polymorph Nucleation and Free Energies with the SGOOP and Metadynamics
Ziyue Zou, Sun-Ting Tsai, Pratyush Tiwary
Nature Communications
|
October 10, 2020
Learning molecular dynamics with simple language model built upon long short-term memory neural network
Sun-Ting Tsai, En-Jui Kuo, Pratyush Tiwary
The Journal of Chemical Physics
|
December 24, 2018
Multi-dimensional spectral gap optimization of order parameters (SGOOP) through conditional probability factorization
Zachary Smith, Debabrata Pramanik, Sun-Ting Tsai, et al.
The Journal of Chemical Physics
|
January 12, 2026
Hybrid Monte Carlo metadynamics (hybridMC-MetaD)
Charlotte Shiqi Zhao, Sun-Ting Tsai, Sharon C Glotzer
Proceedings of the National Academy of Sciences of the United States of America
|
May 11, 2026
Exploring entropy landscapes using hard particle Monte Carlo metadynamics
Charlotte Shiqi Zhao, Sun-Ting Tsai, Sharon C Glotzer
The Journal of Chemical Physics
|
April 16, 2024
Classification of complex local environments in systems of particle shapes through shape symmetry-encoded data augmentation
Shih-Kuang Alex Lee, Sun-Ting Tsai, Sharon C Glotzer
Proceedings of the National Academy of Sciences of the United States of America
|
February 9, 2023
Driving and characterizing nucleation of urea and glycine polymorphs in water
Ziyue Zou, Eric R Beyerle, Sun-Ting Tsai, et al.
Nature Communications
|
November 26, 2022
Path sampling of recurrent neural networks by incorporating known physics
Sun-Ting Tsai, Eric Fields, Yijia Xu, et al.
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of 2
Search research articles
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Showing results (1-10 of 14) with videos related to
Sort By:
Page
of 2
Journal of Chemical Theory and Computation
|
October 18, 2021
SGOOP-d: Estimating Kinetic Distances and Reaction Coordinate Dimensionality for Rare Event Systems from Biased/Unbiased Simulations
Sun-Ting Tsai, Zachary Smith, Pratyush Tiwary
The Journal of Chemical Physics
|
October 24, 2019
Reaction coordinates and rate constants for liquid droplet nucleation: Quantifying the interplay between driving force and memory
Sun-Ting Tsai, Zachary Smith, Pratyush Tiwary
The Journal of Physical Chemistry. B
|
November 17, 2021
Toward Automated Sampling of Polymorph Nucleation and Free Energies with the SGOOP and Metadynamics
Ziyue Zou, Sun-Ting Tsai, Pratyush Tiwary
Nature Communications
|
October 10, 2020
Learning molecular dynamics with simple language model built upon long short-term memory neural network
Sun-Ting Tsai, En-Jui Kuo, Pratyush Tiwary
The Journal of Chemical Physics
|
December 24, 2018
Multi-dimensional spectral gap optimization of order parameters (SGOOP) through conditional probability factorization
Zachary Smith, Debabrata Pramanik, Sun-Ting Tsai, et al.
The Journal of Chemical Physics
|
January 12, 2026
Hybrid Monte Carlo metadynamics (hybridMC-MetaD)
Charlotte Shiqi Zhao, Sun-Ting Tsai, Sharon C Glotzer
Proceedings of the National Academy of Sciences of the United States of America
|
May 11, 2026
Exploring entropy landscapes using hard particle Monte Carlo metadynamics
Charlotte Shiqi Zhao, Sun-Ting Tsai, Sharon C Glotzer
The Journal of Chemical Physics
|
April 16, 2024
Classification of complex local environments in systems of particle shapes through shape symmetry-encoded data augmentation
Shih-Kuang Alex Lee, Sun-Ting Tsai, Sharon C Glotzer
Proceedings of the National Academy of Sciences of the United States of America
|
February 9, 2023
Driving and characterizing nucleation of urea and glycine polymorphs in water
Ziyue Zou, Eric R Beyerle, Sun-Ting Tsai, et al.
Nature Communications
|
November 26, 2022
Path sampling of recurrent neural networks by incorporating known physics
Sun-Ting Tsai, Eric Fields, Yijia Xu, et al.
Page
of 2