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The Journal of Chemical Physics
|
July 6, 2023
Inexact iterative numerical linear algebra for neural network-based spectral estimation and rare-event prediction
John Strahan, Spencer C Guo, Chatipat Lorpaiboon, et al.
SIAM Journal on Mathematics of Data Science
|
August 6, 2021
Error Bounds for Dynamical Spectral Estimation
Robert J Webber, Erik H Thiede, Douglas Dow, et al.
The Journal of Physical Chemistry. B
|
September 21, 2020
Integrated Variational Approach to Conformational Dynamics: A Robust Strategy for Identifying Eigenfunctions of Dynamical Operators
Chatipat Lorpaiboon, Erik Henning Thiede, Robert J Webber, et al.
Chaos (Woodbury, N.Y.)
|
June 4, 2019
Practical rare event sampling for extreme mesoscale weather
Robert J Webber, David A Plotkin, Morgan E O'Neill, et al.
Journal of Chemical Theory and Computation
|
April 28, 2021
Long-Time-Scale Predictions from Short-Trajectory Data: A Benchmark Analysis of the Trp-Cage Miniprotein
John Strahan, Adam Antoszewski, Chatipat Lorpaiboon, et al.
Proceedings of the National Academy of Sciences of the United States of America
|
May 20, 2025
Can AI weather models predict out-of-distribution gray swan tropical cyclones?
Y Qiang Sun, Pedram Hassanzadeh, Mohsen Zand, et al.
Biophysical Journal
|
April 18, 2014
Nucleotide regulation of the structure and dynamics of G-actin
Marissa G Saunders, Jeremy Tempkin, Jonathan Weare, et al.
Journal of Chemical Theory and Computation
|
November 8, 2022
Full Configuration Interaction Excited-State Energies in Large Active Spaces from Subspace Iteration with Repeated Random Sparsification
Samuel M Greene, Robert J Webber, James E T Smith, et al.
SIAM Review. Society for Industrial and Applied Mathematics
|
October 15, 2021
Trajectory stratification of stochastic dynamics
Aaron R Dinner, Jonathan C Mattingly, Jeremy O B Tempkin, et al.
The Journal of Chemical Physics
|
May 17, 2014
Using multiscale preconditioning to accelerate the convergence of iterative molecular calculations
Jeremy O B Tempkin, Bo Qi, Marissa G Saunders, et al.
Page
of 4
Search research articles
Search
Showing results (21-30 of 33) with videos related to
Sort By:
Page
of 4
The Journal of Chemical Physics
|
July 6, 2023
Inexact iterative numerical linear algebra for neural network-based spectral estimation and rare-event prediction
John Strahan, Spencer C Guo, Chatipat Lorpaiboon, et al.
SIAM Journal on Mathematics of Data Science
|
August 6, 2021
Error Bounds for Dynamical Spectral Estimation
Robert J Webber, Erik H Thiede, Douglas Dow, et al.
The Journal of Physical Chemistry. B
|
September 21, 2020
Integrated Variational Approach to Conformational Dynamics: A Robust Strategy for Identifying Eigenfunctions of Dynamical Operators
Chatipat Lorpaiboon, Erik Henning Thiede, Robert J Webber, et al.
Chaos (Woodbury, N.Y.)
|
June 4, 2019
Practical rare event sampling for extreme mesoscale weather
Robert J Webber, David A Plotkin, Morgan E O'Neill, et al.
Journal of Chemical Theory and Computation
|
April 28, 2021
Long-Time-Scale Predictions from Short-Trajectory Data: A Benchmark Analysis of the Trp-Cage Miniprotein
John Strahan, Adam Antoszewski, Chatipat Lorpaiboon, et al.
Proceedings of the National Academy of Sciences of the United States of America
|
May 20, 2025
Can AI weather models predict out-of-distribution gray swan tropical cyclones?
Y Qiang Sun, Pedram Hassanzadeh, Mohsen Zand, et al.
Biophysical Journal
|
April 18, 2014
Nucleotide regulation of the structure and dynamics of G-actin
Marissa G Saunders, Jeremy Tempkin, Jonathan Weare, et al.
Journal of Chemical Theory and Computation
|
November 8, 2022
Full Configuration Interaction Excited-State Energies in Large Active Spaces from Subspace Iteration with Repeated Random Sparsification
Samuel M Greene, Robert J Webber, James E T Smith, et al.
SIAM Review. Society for Industrial and Applied Mathematics
|
October 15, 2021
Trajectory stratification of stochastic dynamics
Aaron R Dinner, Jonathan C Mattingly, Jeremy O B Tempkin, et al.
The Journal of Chemical Physics
|
May 17, 2014
Using multiscale preconditioning to accelerate the convergence of iterative molecular calculations
Jeremy O B Tempkin, Bo Qi, Marissa G Saunders, et al.
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of 4