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Aleksander E P Durumeric

Showing results (1-10 of 15) with videos related to

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The Journal of Chemical Physics|October 3, 2019
Adversarial-residual-coarse-graining: Applying machine learning theory to systematic molecular coarse-grainingAleksander E P Durumeric, Gregory A Voth
The Journal of Chemical Physics|June 15, 2023
Using classifiers to understand coarse-grained models and their fidelity with the underlying all-atom systemsAleksander E P Durumeric, Gregory A Voth
Journal of Chemical Theory and Computation|February 21, 2023
Utilizing Machine Learning to Greatly Expand the Range and Accuracy of Bottom-Up Coarse-Grained Models through Virtual ParticlesPatrick G Sahrmann, Timothy D Loose, Aleksander E P Durumeric, et al.
The Journal of Chemical Physics|August 1, 2016
On the representability problem and the physical meaning of coarse-grained modelsJacob W Wagner, James F Dama, Aleksander E P Durumeric, et al.
The Journal of Chemical Physics|October 10, 2019
Compatible observable decompositions for coarse-grained representations of real molecular systemsThomas Dannenhoffer-Lafage, Jacob W Wagner, Aleksander E P Durumeric, et al.
Nature Communications|March 16, 2026
Learning data-efficient coarse-grained molecular dynamics from forces and noiseAleksander E P Durumeric, Yaoyi Chen, Aldo S Pasos-Trejo, et al.
Journal of Chemical Theory and Computation|September 7, 2022
Bottom-up Coarse-Graining: Principles and PerspectivesJaehyeok Jin, Alexander J Pak, Aleksander E P Durumeric, et al.
The Journal of Physical Chemistry Letters|April 20, 2023
Statistically Optimal Force Aggregation for Coarse-Graining Molecular DynamicsAndreas Krämer, Aleksander E P Durumeric, Nicholas E Charron, et al.
Journal of Chemical Information and Modeling|May 6, 2026
Machine Learning-Driven Simulations of the SARS-CoV-2 Fitness Landscape from Deep Mutational Scanning ExperimentsAleksander E P Durumeric, Sean McCarty, Jay Smith, et al.
The Journal of Chemical Physics|August 3, 2021
Improving the accuracy and convergence of drug permeation simulations via machine-learned collective variablesFikret Aydin, Aleksander E P Durumeric, Gabriel C A da Hora, et al.
Pageof 2

Showing results (1-10 of 15) with videos related to

Sort By:
Pageof 2
The Journal of Chemical Physics|October 3, 2019
Adversarial-residual-coarse-graining: Applying machine learning theory to systematic molecular coarse-grainingAleksander E P Durumeric, Gregory A Voth
The Journal of Chemical Physics|June 15, 2023
Using classifiers to understand coarse-grained models and their fidelity with the underlying all-atom systemsAleksander E P Durumeric, Gregory A Voth
Journal of Chemical Theory and Computation|February 21, 2023
Utilizing Machine Learning to Greatly Expand the Range and Accuracy of Bottom-Up Coarse-Grained Models through Virtual ParticlesPatrick G Sahrmann, Timothy D Loose, Aleksander E P Durumeric, et al.
The Journal of Chemical Physics|August 1, 2016
On the representability problem and the physical meaning of coarse-grained modelsJacob W Wagner, James F Dama, Aleksander E P Durumeric, et al.
The Journal of Chemical Physics|October 10, 2019
Compatible observable decompositions for coarse-grained representations of real molecular systemsThomas Dannenhoffer-Lafage, Jacob W Wagner, Aleksander E P Durumeric, et al.
Nature Communications|March 16, 2026
Learning data-efficient coarse-grained molecular dynamics from forces and noiseAleksander E P Durumeric, Yaoyi Chen, Aldo S Pasos-Trejo, et al.
Journal of Chemical Theory and Computation|September 7, 2022
Bottom-up Coarse-Graining: Principles and PerspectivesJaehyeok Jin, Alexander J Pak, Aleksander E P Durumeric, et al.
The Journal of Physical Chemistry Letters|April 20, 2023
Statistically Optimal Force Aggregation for Coarse-Graining Molecular DynamicsAndreas Krämer, Aleksander E P Durumeric, Nicholas E Charron, et al.
Journal of Chemical Information and Modeling|May 6, 2026
Machine Learning-Driven Simulations of the SARS-CoV-2 Fitness Landscape from Deep Mutational Scanning ExperimentsAleksander E P Durumeric, Sean McCarty, Jay Smith, et al.
The Journal of Chemical Physics|August 3, 2021
Improving the accuracy and convergence of drug permeation simulations via machine-learned collective variablesFikret Aydin, Aleksander E P Durumeric, Gabriel C A da Hora, et al.
Pageof 2