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Journal of the American Chemical Society
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August 6, 2010
Concerted proton-electron transfer to dioxygen in water
Ophir Snir, Yifeng Wang, Mark E Tuckerman, et al.
The Journal of Physical Chemistry. B
|
April 11, 2020
Comparison of the Performance of Machine Learning Models in Representing High-Dimensional Free Energy Surfaces and Generating Observables
Joseph R Cendagorta, Jocelyn Tolpin, Elia Schneider, et al.
Nature Chemistry
|
May 23, 2012
The mechanism of proton conduction in phosphoric acid
Linas Vilčiauskas, Mark E Tuckerman, Gabriel Bester, et al.
Physical Review Letters
|
October 28, 2017
Stochastic Neural Network Approach for Learning High-Dimensional Free Energy Surfaces
Elia Schneider, Luke Dai, Robert Q Topper, et al.
The Journal of Physical Chemistry. A
|
April 8, 2006
Revisiting the structure of (LiCH3)n aggregates using Car-Parrinello molecular dynamics
Hélène Gérard, Aurélien de la Lande, Jacques Maddaluno, et al.
The Journal of Physical Chemistry Letters
|
November 3, 2020
Generating Cocrystal Polymorphs with Information Entropy Driven by Molecular Dynamics-Based Enhanced Sampling
Hongxing Song, Leslie Vogt-Maranto, Ren Wiscons, et al.
Soft Matter
|
September 20, 2023
Microswimmers under the spotlight: interplay between agents with different levels of activity
Caroline Desgranges, Melissa Ferrari, Paul M Chaikin, et al.
The Journal of Chemical Physics
|
January 7, 2005
Long range interactions on wires: a reciprocal space based formalism
Peter Mináry, Joseph A Morrone, Dawn A Yarne, et al.
Nature Communications
|
October 13, 2017
Bypassing the Kohn-Sham equations with machine learning
Felix Brockherde, Leslie Vogt, Li Li, et al.
The Journal of Chemical Physics
|
August 24, 2018
Endpoint-restricted adiabatic free energy dynamics approach for the exploration of biomolecular conformational equilibria
Michel A Cuendet, Daniel T Margul, Elia Schneider, et al.
Page
of 11
Search research articles
Search
Showing results (81-90 of 109) with videos related to
Sort By:
Page
of 11
Journal of the American Chemical Society
|
August 6, 2010
Concerted proton-electron transfer to dioxygen in water
Ophir Snir, Yifeng Wang, Mark E Tuckerman, et al.
The Journal of Physical Chemistry. B
|
April 11, 2020
Comparison of the Performance of Machine Learning Models in Representing High-Dimensional Free Energy Surfaces and Generating Observables
Joseph R Cendagorta, Jocelyn Tolpin, Elia Schneider, et al.
Nature Chemistry
|
May 23, 2012
The mechanism of proton conduction in phosphoric acid
Linas Vilčiauskas, Mark E Tuckerman, Gabriel Bester, et al.
Physical Review Letters
|
October 28, 2017
Stochastic Neural Network Approach for Learning High-Dimensional Free Energy Surfaces
Elia Schneider, Luke Dai, Robert Q Topper, et al.
The Journal of Physical Chemistry. A
|
April 8, 2006
Revisiting the structure of (LiCH3)n aggregates using Car-Parrinello molecular dynamics
Hélène Gérard, Aurélien de la Lande, Jacques Maddaluno, et al.
The Journal of Physical Chemistry Letters
|
November 3, 2020
Generating Cocrystal Polymorphs with Information Entropy Driven by Molecular Dynamics-Based Enhanced Sampling
Hongxing Song, Leslie Vogt-Maranto, Ren Wiscons, et al.
Soft Matter
|
September 20, 2023
Microswimmers under the spotlight: interplay between agents with different levels of activity
Caroline Desgranges, Melissa Ferrari, Paul M Chaikin, et al.
The Journal of Chemical Physics
|
January 7, 2005
Long range interactions on wires: a reciprocal space based formalism
Peter Mináry, Joseph A Morrone, Dawn A Yarne, et al.
Nature Communications
|
October 13, 2017
Bypassing the Kohn-Sham equations with machine learning
Felix Brockherde, Leslie Vogt, Li Li, et al.
The Journal of Chemical Physics
|
August 24, 2018
Endpoint-restricted adiabatic free energy dynamics approach for the exploration of biomolecular conformational equilibria
Michel A Cuendet, Daniel T Margul, Elia Schneider, et al.
Page
of 11