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Sun-Ting Tsai
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Learning molecular dynamics with simple language model built upon long short-term memory neural network
ST Tsai, EJ Kuo, P Tiwary
Bulletin of the American Physical Society, 2021
752021
Learning molecular dynamics with simple language model built upon long short-term memory neural network
ST Tsai, EJ Kuo, P Tiwary
Nature communications 11 (1), 5115, 2020
752020
Kinetics of ligand–protein dissociation from all-atom simulations: Are we there yet?
JML Ribeiro, ST Tsai, D Pramanik, Y Wang, P Tiwary
Biochemistry 58 (3), 156-165, 2018
432018
Multi-dimensional spectral gap optimization of order parameters (SGOOP) through conditional probability factorization
Z Smith, ST Tsai, D Pramanik, P Tiwary
The Journal of Chemical Physics 149 (23), 234105, 2018
402018
SGOOP-d: Estimating kinetic distances and reaction coordinate dimensionality for rare event systems from biased/unbiased simulations
ST Tsai, Z Smith, P Tiwary
Journal of chemical theory and computation 17 (11), 6757-6765, 2021
252021
Reaction coordinates and rate constants for liquid droplet nucleation: Quantifying the interplay between driving force and memory
ST Tsai, Z Smith, P Tiwary
The Journal of chemical physics 151 (15), 2019
252019
Acoustic emission from breaking a bamboo chopstick
ST Tsai, LM Wang, P Huang, Z Yang, CD Chang, TM Hong
Physical Review Letters 116 (3), 035501, 2016
182016
Driving and characterizing nucleation of urea and glycine polymorphs in water
Z Zou, ER Beyerle, ST Tsai, P Tiwary
Proceedings of the National Academy of Sciences 120 (7), e2216099120, 2023
162023
Path sampling of recurrent neural networks by incorporating known physics
ST Tsai, E Fields, Y Xu, EJ Kuo, P Tiwary
Nature communications 13 (1), 7231, 2022
152022
Toward automated sampling of polymorph nucleation and free energies with the SGOOP and metadynamics
Z Zou, ST Tsai, P Tiwary
The Journal of Physical Chemistry B 125 (47), 13049-13056, 2021
152021
Power-law ansatz in complex systems: Excessive loss of information
ST Tsai, CD Chang, CH Chang, MX Tsai, NJ Hsu, TM Hong
Physical Review E 92 (6), 062925, 2015
102015
Significantly enhanced giant Rashba splitting in a thin film of binary alloy
WC Chen, TR Chang, ST Tsai, S Yamamoto, JM Kuo, CM Cheng, ...
New Journal of Physics 17 (8), 083015, 2015
102015
On the distance between A and B in molecular configuration space
ST Tsai, P Tiwary
Molecular Simulation 47 (5), 449-456, 2021
82021
Crumpling-origami transition for twisting cylindrical shells
LM Wang, ST Tsai, C Lee, PY Hsiao, JW Deng, HCF Chiang, Y Fei, ...
Physical Review E 101 (5), 053001, 2020
12020
Ligand dissociation mechanisms from all-atom simulations: Are we there yet?
JML Ribeiro, ST Tsai, D Pramanik, Y Wang, P Tiwary
arXiv preprint arXiv:1809.04540, 2018
12018
Complex local environments classification of shape particles through shape-symmetry encoded data augmentation.
SK Lee, S Glotzer, ST Tsai
Bulletin of the American Physical Society, 2024
2024
A machine learning strategy for the physics-informed design of nanomaterials using ChIMES
M Zhang, B Laubach, A Lee, ST Tsai, J Anderson, S Glotzer, R Lindsey
Bulletin of the American Physical Society, 2024
2024
Classification of complex local environments in systems of particle shapes through shape-symmetry encoded data augmentation
ST Tsai, S Glotzer
arXiv preprint arXiv:2312.11822, 2023
2023
Order Parameter-Free Classification of Complex Local Environments of Shape Particles
SK Lee, ST Tsai, SC Glotzer
2023 AIChE Annual Meeting, 2023
2023
Building Kinetic Models for Complex Systems with Arbitrary Memories
ST Tsai
University of Maryland, College Park, 2022
2022
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