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Physical Review Letters
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July 22, 2017
Enhancing Entropy and Enthalpy Fluctuations to Drive Crystallization in Atomistic Simulations
Pablo M Piaggi, Omar Valsson, Michele Parrinello
Nano Letters
|
December 9, 2022
The Crucial Role of Solvation Forces in the Steric Stabilization of Nanoplatelets
Nanning Petersen, Martin Girard, Andreas Riedinger, et al.
Physical Review. E
|
March 18, 2023
Sampling rare event energy landscapes via birth-death augmented dynamics
Benjamin Pampel, Simon Holbach, Lisa Hartung, et al.
Journal of Chemical Theory and Computation
|
September 17, 2020
Mg<sup>2+</sup> Sensing by an RNA Fragment: Role of Mg<sup>2+</sup>-Coordinated Water Molecules
Antarip Halder, Sunil Kumar, Omar Valsson, et al.
Physical Review Letters
|
August 29, 2015
Variationally Optimized Free-Energy Flooding for Rate Calculation
James McCarty, Omar Valsson, Pratyush Tiwary, et al.
The Journal of Physical Chemistry Letters
|
January 11, 2017
Variational Flooding Study of a S<sub>N</sub>2 Reaction
GiovanniMaria Piccini, James J McCarty, Omar Valsson, et al.
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.
The Journal of Physical Chemistry Letters
|
November 2, 2016
Electrostatic versus Resonance Interactions in Photoreceptor Proteins: The Case of Rhodopsin
Riccardo Guareschi, Omar Valsson, Carles Curutchet, et al.
Journal of Chemical Theory and Computation
|
November 20, 2015
State-Specific Embedding Potentials for Excitation-Energy Calculations
Csaba Daday, Carolin König, Omar Valsson, et al.
Journal of Chemical Theory and Computation
|
November 20, 2015
Rhodopsin Absorption from First Principles: Bypassing Common Pitfalls
Omar Valsson, Pablo Campomanes, Ivano Tavernelli, et al.
Page
of 4
Search research articles
Search
Showing results (21-30 of 37) with videos related to
Sort By:
Page
of 4
Physical Review Letters
|
July 22, 2017
Enhancing Entropy and Enthalpy Fluctuations to Drive Crystallization in Atomistic Simulations
Pablo M Piaggi, Omar Valsson, Michele Parrinello
Nano Letters
|
December 9, 2022
The Crucial Role of Solvation Forces in the Steric Stabilization of Nanoplatelets
Nanning Petersen, Martin Girard, Andreas Riedinger, et al.
Physical Review. E
|
March 18, 2023
Sampling rare event energy landscapes via birth-death augmented dynamics
Benjamin Pampel, Simon Holbach, Lisa Hartung, et al.
Journal of Chemical Theory and Computation
|
September 17, 2020
Mg<sup>2+</sup> Sensing by an RNA Fragment: Role of Mg<sup>2+</sup>-Coordinated Water Molecules
Antarip Halder, Sunil Kumar, Omar Valsson, et al.
Physical Review Letters
|
August 29, 2015
Variationally Optimized Free-Energy Flooding for Rate Calculation
James McCarty, Omar Valsson, Pratyush Tiwary, et al.
The Journal of Physical Chemistry Letters
|
January 11, 2017
Variational Flooding Study of a S<sub>N</sub>2 Reaction
GiovanniMaria Piccini, James J McCarty, Omar Valsson, et al.
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.
The Journal of Physical Chemistry Letters
|
November 2, 2016
Electrostatic versus Resonance Interactions in Photoreceptor Proteins: The Case of Rhodopsin
Riccardo Guareschi, Omar Valsson, Carles Curutchet, et al.
Journal of Chemical Theory and Computation
|
November 20, 2015
State-Specific Embedding Potentials for Excitation-Energy Calculations
Csaba Daday, Carolin König, Omar Valsson, et al.
Journal of Chemical Theory and Computation
|
November 20, 2015
Rhodopsin Absorption from First Principles: Bypassing Common Pitfalls
Omar Valsson, Pablo Campomanes, Ivano Tavernelli, et al.
Page
of 4