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Qi Zhang
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qha: A Python package for quasiharmonic free energy calculation for multi-configuration systems
T Qin, Q Zhang, RM Wentzcovitch, K Umemoto
Computer Physics Communications 237, 199-207, 2019
322019
Thermodynamic properties of ε-Fe with thermal electronic excitation effects on vibrational spectra
J Zhuang, H Wang, Q Zhang, RM Wentzcovitch
Physical Review B 103 (14), 144102, 2021
162021
pgm: A Python package for free energy calculations within the phonon gas model
H Wang, J Zhuang, Z Zhang, Q Zhang, RM Wentzcovitch
Computer Physics Communications 291, 108845, 2023
22023
express: Extensible, high-level workflows for swifter ab initio materials modeling
Q Zhang, C Gu, J Zhuang, RM Wentzcovitch
Computer Physics Communications 282, 108515, 2023
22023
Building a database of thermoelastic properties using ab initio workflows
Q Zhang, R Wentzcovitch, QZ Team, RMW Team
APS March Meeting Abstracts 2023, AAA08. 002, 2023
2023
Building a database of thermoelastic properties using ab initio workflows
Q Zhang, R Wentzcovitch
AGU Fall Meeting Abstracts 2022, MR22A-0048, 2022
2022
A systematic DFT study of mineral properties using ab initio workflows
Q Zhang, R Wentzcovitch
APS March Meeting Abstracts 2022, D24. 005, 2022
2022
: extensible, high-level workflows for swifter materials modeling
Q Zhang, C Gu, J Zhuang, RM Wentzcovitch
arXiv preprint arXiv:2109.11724, 2021
2021
Thermal equation of state of ε-Fe at exoplanetary interior conditions
J Zhuang, H Wang, Q Zhang, K Sarkar, R Wentzcovitch
Bulletin of the American Physical Society 64, 2019
2019
Thermodynamic properties of ε-iron with T-dependent phonons
H Wang, Q Zhang, J Zhuang, R Wentzcovitch
Bulletin of the American Physical Society 64, 2019
2019
qha: A Python package for quasi-harmonic free energy calculation for multi-configuration system
Q Zhang, T Qin, K Umemoto, R Wentzcovitch
APS March Meeting Abstracts 2019, R17. 007, 2019
2019
Stability field of δ-AlOOH investigated with ab-initio calculations
C Luo, T Wan, Z Cai, T Qin, Q Zhang, R Wentzcovitch
AGU Fall Meeting Abstracts 2018, MR23B-0100, 2018
2018
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Articles 1–12