15 citations · 19 across the 2 of their papers we have counts for
2 papers
cond-mat.mtrl-sci2024★ 4 cited
Approximations in first-principles volumetric thermal expansion determination
Samare Rostami, Xavier Gonze
In the realm of thermal expansion determination, the quasiharmonic approximation (QHA) stands as a widely embraced method for discerning minima of free energies across diverse temp…
cond-mat.mtrl-sci2024★ 15 cited
Variational Density Functional Perturbation Theory for Metals
Xavier Gonze, Samare Rostami, Christian Tantardini
Density functional perturbation theory is a well-established method to study responses of molecules and solids, especially responses to atomic displacements or to different perturb…