Publication

Inferring free-energy barriers and kinetic rates from molecular dynamics via underdamped Langevin models

Publications associées (63)

À propos
Confidentialité
Mentions légales

Graph Chatbot

Chattez avec Graph Search

Posez n’importe quelle question sur les cours, conférences, exercices, recherches, actualités, etc. de l’EPFL ou essayez les exemples de questions ci-dessous.

AVERTISSEMENT : Le chatbot Graph n'est pas programmé pour fournir des réponses explicites ou catégoriques à vos questions. Il transforme plutôt vos questions en demandes API qui sont distribuées aux différents services informatiques officiellement administrés par l'EPFL. Son but est uniquement de collecter et de recommander des références pertinentes à des contenus que vous pouvez explorer pour vous aider à répondre à vos questions.

Connectez-vous pour utiliser Chat avec Graph Search

Inferring free-energy barriers and kinetic rates from molecular dynamics via underdamped Langevin models

Graph Chatbot

Chattez avec Graph Search

Adiabatic motion and statistical mechanics via mass-zero constrained dynamics

Sequential model identification of reaction systems-The missing path between the incremental and simultaneous approaches

Bimolecular charge transfer reactions at and through the liquid-liquid interface

Water Activity from Equilibrium Molecular Dynamics Simulations and Kirkwood-Buff Theory

Supercritical water anomalies in the vicinity of the Widom line

Treatment of long-range interactions arising in the Enskog-Vlasov description of dense fluids

Unsupervised landmark analysis for jump detection in molecular dynamics simulations

A combined on-the-fly/interpolation procedure for evaluating energy values needed in molecular simulations

Temperature dependence of water-water and ion-water correlations in bulk water and electrolyte solutions probed by femtosecond elastic second harmonic scattering

Treatment of long-range interactions arising in the Enskog-Vlasov description of dense fluids

Sequential model identification of reaction systems-The missing path between the incremental and simultaneous approaches

Treatment of long-range interactions arising in the Enskog-Vlasov description of dense fluids

Unsupervised landmark analysis for jump detection in molecular dynamics simulations

Adiabatic motion and statistical mechanics via mass-zero constrained dynamics

Temperature dependence of water-water and ion-water correlations in bulk water and electrolyte solutions probed by femtosecond elastic second harmonic scattering

Supercritical water anomalies in the vicinity of the Widom line

Bimolecular charge transfer reactions at and through the liquid-liquid interface

Water Activity from Equilibrium Molecular Dynamics Simulations and Kirkwood-Buff Theory

Treatment of long-range interactions arising in the Enskog-Vlasov description of dense fluids

A combined on-the-fly/interpolation procedure for evaluating energy values needed in molecular simulations