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Journal of Computational Physics
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June 19, 2023
Predicting rare events using neural networks and short-trajectory data
John Strahan, Justin Finkel, Aaron R Dinner, et al.
The Journal of Chemical Physics
|
July 1, 2019
Galerkin approximation of dynamical quantities using trajectory data
Erik H Thiede, Dimitrios Giannakis, Aaron R Dinner, et al.
The Journal of Chemical Physics
|
September 3, 2016
Eigenvector method for umbrella sampling enables error analysis
Erik H Thiede, Brian Van Koten, Jonathan Weare, et al.
SIAM/ASA Journal on Uncertainty Quantification
|
October 6, 2021
Stratification as a general variance reduction method for Markov chain Monte Carlo
Aaron R Dinner, Erik H Thiede, Brian Van Koten, et al.
Journal of Chemical Theory and Computation
|
August 8, 2019
Beyond Walkers in Stochastic Quantum Chemistry: Reducing Error Using Fast Randomized Iteration
Samuel M Greene, Robert J Webber, Jonathan Weare, et al.
Journal of Chemical Theory and Computation
|
February 27, 2016
Multiple Time-Step Dual-Hamiltonian Hybrid Molecular Dynamics - Monte Carlo Canonical Propagation Algorithm
Yunjie Chen, Seyit Kale, Jonathan Weare, et al.
Journal of Chemical Theory and Computation
|
July 23, 2020
Improved Fast Randomized Iteration Approach to Full Configuration Interaction
Samuel M Greene, Robert J Webber, Jonathan Weare, et al.
The Journal of Chemical Physics
|
January 28, 2025
Using pretrained graph neural networks with token mixers as geometric featurizers for conformational dynamics
Zihan Pengmei, Chatipat Lorpaiboon, Spencer C Guo, et al.
The Journal of Chemical Physics
|
February 23, 2024
Accurate estimates of dynamical statistics using memory
Chatipat Lorpaiboon, Spencer C Guo, John Strahan, et al.
Arxiv
|
January 13, 2025
Using pretrained graph neural networks with token mixers as geometric featurizers for conformational dynamics
Zihan Pengmei, Chatipat Lorpaiboon, Spencer C Guo, et al.
Page
of 4
Search research articles
Search
Showing results (11-20 of 33) with videos related to
Sort By:
Page
of 4
Journal of Computational Physics
|
June 19, 2023
Predicting rare events using neural networks and short-trajectory data
John Strahan, Justin Finkel, Aaron R Dinner, et al.
The Journal of Chemical Physics
|
July 1, 2019
Galerkin approximation of dynamical quantities using trajectory data
Erik H Thiede, Dimitrios Giannakis, Aaron R Dinner, et al.
The Journal of Chemical Physics
|
September 3, 2016
Eigenvector method for umbrella sampling enables error analysis
Erik H Thiede, Brian Van Koten, Jonathan Weare, et al.
SIAM/ASA Journal on Uncertainty Quantification
|
October 6, 2021
Stratification as a general variance reduction method for Markov chain Monte Carlo
Aaron R Dinner, Erik H Thiede, Brian Van Koten, et al.
Journal of Chemical Theory and Computation
|
August 8, 2019
Beyond Walkers in Stochastic Quantum Chemistry: Reducing Error Using Fast Randomized Iteration
Samuel M Greene, Robert J Webber, Jonathan Weare, et al.
Journal of Chemical Theory and Computation
|
February 27, 2016
Multiple Time-Step Dual-Hamiltonian Hybrid Molecular Dynamics - Monte Carlo Canonical Propagation Algorithm
Yunjie Chen, Seyit Kale, Jonathan Weare, et al.
Journal of Chemical Theory and Computation
|
July 23, 2020
Improved Fast Randomized Iteration Approach to Full Configuration Interaction
Samuel M Greene, Robert J Webber, Jonathan Weare, et al.
The Journal of Chemical Physics
|
January 28, 2025
Using pretrained graph neural networks with token mixers as geometric featurizers for conformational dynamics
Zihan Pengmei, Chatipat Lorpaiboon, Spencer C Guo, et al.
The Journal of Chemical Physics
|
February 23, 2024
Accurate estimates of dynamical statistics using memory
Chatipat Lorpaiboon, Spencer C Guo, John Strahan, et al.
Arxiv
|
January 13, 2025
Using pretrained graph neural networks with token mixers as geometric featurizers for conformational dynamics
Zihan Pengmei, Chatipat Lorpaiboon, Spencer C Guo, et al.
Page
of 4