34 citations · 62 across the 4 of their papers we have counts for
4 papers
Archê, an orbital-free molecular dynamics code for fast production of equations of state
William Weens, Augustin Blanchet, Philippe Arnault
We present Archê, an orbital-free molecular dynamics (OFMD) code designed to produce equations of state (EOS) in the plasma state. Unlike in other OFMD codes, Archê uses a self-con…
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…
Sommerfeld expansion of electronic entropy in INFERNO-like average atom model
Philippe Arnault, Julien Racine, Jean-Pierre Raucourt +2
In average atom (AA) model, the entropy provides a route to compute thermal electronic contributions to the equation of state (EOS). The complete EOS comprises in many modelings an…
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…