Embedded Files
A Python Package for Ab initio Interface Phonon Calculations within a 3D Electronic Structure Framework
[code] "InterPhon: Ab initio Interface Phonon Calculations within a 3D Electronic Structure Framework," Comput. Phys. Commun. 268, 108089, (2021).
[download] https://github.com/inwonyeu/interphon
[application] "An ab initio approach on the asymmetric stacking of GaAs <111> nanowires grown by a vapor-solid method," Nanoscale 12, 17703 (2020).
[application] "Theoretical understanding of the catalyst-free growth mechanism of GaAs <111>B nanowires " Appl. Surf. Sci. 497[15] 143740 (2019).
A Python Package for Property Prediction of Pseudobinary systems using Grand canonical ensemble
[code] "Temperature-dependent bandgap of (In,Ga)As via P5Grand: a Python Package for Property Prediction of Pseudobinary systems using Grand canonical ensemble,” Chem. Phys. Lett. 804, 139887 (2022).
[download] https://github.com/Han-Gyuseung/P5Grand
[application] "Effect of local strain energy to predict accurate phase diagram of III-V pseudobinary systems: case of Ga(As,Sb) and (In,Ga)As," J. Phys. D: Appl. Phys. 54, 045104 (2021).
Python package for analyzing Vacancy Hopping
[code]
[download] https://github.com/TY-Jeong/VacHopPy
[application]
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