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The Journal of Physical Chemistry. A
|
July 2, 2021
Multiscale Reweighted Stochastic Embedding: Deep Learning of Collective Variables for Enhanced Sampling
Jakub Rydzewski, Omar Valsson
The Journal of Chemical Physics
|
June 17, 2019
Finding multiple reaction pathways of ligand unbinding
Jakub Rydzewski, Omar Valsson
Journal of Chemical Theory and Computation
|
November 11, 2022
Reweighted Manifold Learning of Collective Variables from Enhanced Sampling Simulations
Jakub Rydzewski, Ming Chen, Tushar K Ghosh, et al.
Journal of Chemical Theory and Computation
|
September 12, 2024
Spectral Map for Slow Collective Variables, Markovian Dynamics, and Transition State Ensembles
Jakub Rydzewski
The Journal of Physical Chemistry Letters
|
June 1, 2023
Spectral Map: Embedding Slow Kinetics in Collective Variables
Jakub Rydzewski
The Journal of Physical Chemistry Letters
|
March 10, 2023
Selecting High-Dimensional Representations of Physical Systems by Reweighted Diffusion Maps
Jakub Rydzewski
Journal of Chemical Theory and Computation
|
November 24, 2015
Thermodynamical Description of a Quasi-First-Order Phase Transition from the Well-Tempered Ensemble
Omar Valsson, Michele Parrinello
Journal of Chemical Theory and Computation
|
June 28, 2022
Improving the Efficiency of Variationally Enhanced Sampling with Wavelet-Based Bias Potentials
Benjamin Pampel, Omar Valsson
Journal of Chemical Theory and Computation
|
November 18, 2015
Well-Tempered Variational Approach to Enhanced Sampling
Omar Valsson, Michele Parrinello
The Journal of Physical Chemistry Letters
|
August 20, 2015
Gas-Phase Retinal Spectroscopy: Temperature Effects Are But a Mirage
Omar Valsson, Claudia Filippi
Page
of 6
Search research articles
Search
Showing results (1-10 of 53) with videos related to
Sort By:
Page
of 6
The Journal of Physical Chemistry. A
|
July 2, 2021
Multiscale Reweighted Stochastic Embedding: Deep Learning of Collective Variables for Enhanced Sampling
Jakub Rydzewski, Omar Valsson
The Journal of Chemical Physics
|
June 17, 2019
Finding multiple reaction pathways of ligand unbinding
Jakub Rydzewski, Omar Valsson
Journal of Chemical Theory and Computation
|
November 11, 2022
Reweighted Manifold Learning of Collective Variables from Enhanced Sampling Simulations
Jakub Rydzewski, Ming Chen, Tushar K Ghosh, et al.
Journal of Chemical Theory and Computation
|
September 12, 2024
Spectral Map for Slow Collective Variables, Markovian Dynamics, and Transition State Ensembles
Jakub Rydzewski
The Journal of Physical Chemistry Letters
|
June 1, 2023
Spectral Map: Embedding Slow Kinetics in Collective Variables
Jakub Rydzewski
The Journal of Physical Chemistry Letters
|
March 10, 2023
Selecting High-Dimensional Representations of Physical Systems by Reweighted Diffusion Maps
Jakub Rydzewski
Journal of Chemical Theory and Computation
|
November 24, 2015
Thermodynamical Description of a Quasi-First-Order Phase Transition from the Well-Tempered Ensemble
Omar Valsson, Michele Parrinello
Journal of Chemical Theory and Computation
|
June 28, 2022
Improving the Efficiency of Variationally Enhanced Sampling with Wavelet-Based Bias Potentials
Benjamin Pampel, Omar Valsson
Journal of Chemical Theory and Computation
|
November 18, 2015
Well-Tempered Variational Approach to Enhanced Sampling
Omar Valsson, Michele Parrinello
The Journal of Physical Chemistry Letters
|
August 20, 2015
Gas-Phase Retinal Spectroscopy: Temperature Effects Are But a Mirage
Omar Valsson, Claudia Filippi
Page
of 6