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Journal of Chemical Theory and Computation
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April 14, 2025
LeaPP: Learning Pathways to Polymorphs through Machine Learning Analysis of Atomic Trajectories
Steven W Hall, Porhouy Minh, Sapna Sarupria
The Journal of Physical Chemistry. B
|
September 4, 2025
Crystal Nucleation Kinetics and Mechanism: Influence of Interaction Potential
Porhouy Minh, Steven W Hall, Ryan S DeFever, et al.
The Journal of Chemical Physics
|
June 1, 2022
Practical guide to replica exchange transition interface sampling and forward flux sampling
Steven W Hall, Grisell Díaz Leines, Sapna Sarupria, et al.
The Journal of Chemical Physics
|
October 17, 2019
Improving the efficiency of Monte Carlo simulations of ions using expanded grand canonical ensembles
Harold W Hatch, Steven W Hall, Jeffrey R Errington, et al.
Chemical Science
|
November 27, 2019
A generalized deep learning approach for local structure identification in molecular simulations
Ryan S DeFever, Colin Targonski, Steven W Hall, et al.
Page
of 1
Search research articles
Search
Showing results (1-10 of 5) with videos related to
Sort By:
Page
of 1
Journal of Chemical Theory and Computation
|
April 14, 2025
LeaPP: Learning Pathways to Polymorphs through Machine Learning Analysis of Atomic Trajectories
Steven W Hall, Porhouy Minh, Sapna Sarupria
The Journal of Physical Chemistry. B
|
September 4, 2025
Crystal Nucleation Kinetics and Mechanism: Influence of Interaction Potential
Porhouy Minh, Steven W Hall, Ryan S DeFever, et al.
The Journal of Chemical Physics
|
June 1, 2022
Practical guide to replica exchange transition interface sampling and forward flux sampling
Steven W Hall, Grisell Díaz Leines, Sapna Sarupria, et al.
The Journal of Chemical Physics
|
October 17, 2019
Improving the efficiency of Monte Carlo simulations of ions using expanded grand canonical ensembles
Harold W Hatch, Steven W Hall, Jeffrey R Errington, et al.
Chemical Science
|
November 27, 2019
A generalized deep learning approach for local structure identification in molecular simulations
Ryan S DeFever, Colin Targonski, Steven W Hall, et al.
Page
of 1