23 citations · 28 across the 6 of their papers we have counts for
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cond-mat.mtrl-sci2023
Ab initio study on the stability and elasticity of brucite
Hongjin Wang, Chenxing Luo, Renata M. Wentzcovitch
Brucite (Mg(OH)) is a mineral of great interest owing to its various applications and roles in geological processes. Its structure, behavior under different conditions, and uni…
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)…