596 citations · 789 across the 16 of their papers we have counts for
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cond-mat.mtrl-sci2021★ 11 cited
Ab initio investigation of H-bond disordering in -AlOOH
Chenxing Luo, Koichiro Umemoto, Renata M. Wentzcovitch
-AlOOH () is a high-pressure hydrous phase that participates in the deep geological water cycle. At 0 GPa, has asymmetric hydrogen bonds (H-bonds). Under pressure, it exh…
physics.comp-ph2021★ 31 cited
cij: A Python code for quasiharmonic thermoelasticity
Chenxing Luo, Xin Deng, Wenzhong Wang +3
The Wu-Wentzcovitch semi-analytical method (SAM) is a concise and predictive formalism to calculate the high-pressure and high-temperature (high-PT) thermoelastic tensor (Cij) of c…