87 citations · 276 across the 9 of their papers we have counts for
9 papers
Abinit 2025: New Capabilities for the Predictive Modeling of Solids and Nanomaterials
Matthieu J. Verstraete, Joao Abreu, Guillaume E. Allemand +71
Abinit is a widely used scientific software package implementing density functional theory and many related functionalities for excited states and response properties. This paper p…
Requirements for very high temperature Kohn-Sham density functional simulations and how to bypass them
Augustin Blanchet, Marc Torrent, Jean Clerouin
In high temperature density functional theory simulations (from tens of eV to keV) the total number of Kohn-Sham orbitals is a critical quantity to get accurate results. To establi…
Review of the First Charged-Particle Transport Coefficient Comparison Workshop
P. E. Grabowski, S. B. Hansen, M. S. Murillo +42
We present the results of the first Charged-Particle Transport Coefficient Code Comparison Workshop, which was held in Albuquerque, NM October 4-6, 2016. In this first workshop, sc…
Static and dynamic properties of multi-ionic plasma mixtures
Jean Clerouin, Philippe Arnault, Benoit-Joseph Grea +6
Complex plasma mixtures with three or more components are often encountered in astrophysics or in inertial confinement fusion (ICF) experiments. For mixtures containing species wit…
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…
A unified concept of effective one component plasma for hot dense plasmas
Jean Clérouin, Philippe Arnault, Christopher Ticknor +2
Orbital-free molecular dynamics simulations are used to benchmark two popular models for hot dense plasmas: the one component plasma (OCP) and the Yukawa model. A unified concept e…
Evidence for out-of-equilibrium states in warm dense matter probed by X-ray Thomson scattering
J. Clerouin, P. Arnault, G. Robert +3
A recent and unexpected discrepancy between \textit{ab initio} simulations and the interpretation of a laser shock experiment on aluminum, probed by X-ray Thomson scattering (XRTS)…
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…
Constant entropy sampling and release waves of shock compressions
Jean-Bernard Maillet, Emeric Bourasseau, Laurent Soulard +2
We present several equilibrium methods that allow to compute isentropic processes, either during the compression or the release of the material. These methods are applied to comput…