Direct numerical simulation of flexible molecules and data-driven molecular conformation
Langue
en
Article de revue
Ce document a été publié dans
Comptes Rendus Mécanique. 2019, vol. 347, n° 11, p. 743-753
Elsevier Masson
Résumé en anglais
The present work aims at performing a molecular dynamics modeling of suspensions composed of flexible linear molecules. Molecules are represented by a series of connected beads, whose dynamics is governed by three potentials: ...Lire la suite >
Mots clés en anglais
Molecular dynamics
Flexible molecules
Deep-learning
Direct numerical simulation
Suspension