11 citations · 16 across the 2 of their papers we have counts for
2 papers
physics.comp-ph2023★ 5 cited
pgm: A Python package for free energy calculations within the phonon gas model
Hongjin Wang, Jingyi Zhuang, Zhen Zhang +2
The quasi-harmonic approximation (QHA) is a powerful method that uses the volume dependence of non-interacting phonons to compute the free energy of materials at high pressures (P)…
cond-mat.mtrl-sci2022★ 11 cited
Anharmonic thermodynamic properties and phase boundary across the post-perovskite transition in MgSiO
Zhen Zhang, Renata M. Wentzcovitch
To address the effects of lattice anharmonicity across the perovskite to post-perovskite transition in MgSiO, we conduct calculations using the phonon quasiparticle (PHQ) appro…