35 citations · 69 across the 6 of their papers we have counts for
6 papers
Bootstrapping time correlation functions of molecular dynamics
Desbiens N., Arnault P., Weens W. +2
Molecular dynamics is often considered as a numerical experiment. The error bars on the results are therefore mandatory, but sometimes difficult to determine and computationally de…
Checking the Salpeter enhancement of nuclear reactions in asymmetric mixtures
Jean Clerouin, Philippe Arnault, Nicolas Desbiens +4
We investigate the plasma enhancement of nuclear reactions in the intermediate coupling regime using orbital free molecular dynamics (OFMD) simulations. Mixtures of H-Cu and H-Ag s…
Parametrization of pair correlation function and static structure factor of the one component plasma across coupling regimes
Nicolas Desbiens, Philippe Arnault, Jean Clérouin
We present a parametrization of the pair correlation function and the static structure factor of the Coulomb one component plasma (OCP) from the weakly coupled regime to the strong…
Routine calculation of ab initio melting curves: application to aluminum
Grégory Robert, Philippe Legrand, Philippe Arnault +2
We present a simple, fast, and reliable method to compute the melting curves of materials with ab initio molecular dynamics. It is based on the two-phase thermodynamic model of [Li…
Molecular Simulations of Shock to Detonation Transition in Nitromethane
J. -B. Maillet, G. Vallverdu, N. Desbiens +1
An extension of the model described in a previous work of Maillet, Soulard and Stoltz based on a Dissipative Particule Dynamics is presented and applied to liquid nitromethane. Lar…
Microscopic calculations of Hugoniot curves of neat TATB and of its detonation products
Emeric Bourasseau, Jean-Bernard Maillet, Nicolas Desbiens +1
We compute the Hugoniot curves of both neat TATB and its detonation products mixture using atomistic simulation tools. To compute the Hugoniot states, we adapted our "Sampling Cons…