10 citations · 27 across the 7 of their papers we have counts for
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cond-mat.mtrl-sci2024★ 4 cited
An alternative GPU acceleration for a pseudopotential plane-waves density functional theory code with applications to metallic systems
Xuejun Gong, Andrea Dal Corso
We present an alternative GPU acceleration for plane waves pseudopotentials electronic structure codes designed for systems that have small unit cells but require a large number of…
cond-mat.mtrl-sci2024★ 5 cited
High temperature and pressure thermoelasticity of hcp metals from ab initio quasi-harmonic free energy calculations: the beryllium case
Xuejun Gong, Andrea Dal Corso
We present a systematic ab initio study of the temperature and pressure dependent thermoelastic properties of hcp beryllium within the quasi-harmonic approximation (QHA). The accur…
cond-mat.mtrl-sci2024★ 10 cited
Ab initio thermodynamic properties of Iridium: A high-pressure and high-temperature study
Balaram Thakur, Xuejun Gong, Andrea Dal Corso
The high-pressure and high-temperature thermodynamic properties of iridium are studied using density functional theory in combination with the quasi-harmonic approximation, where b…