77 citations · 188 across the 5 of their papers we have counts for
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cond-mat.mtrl-sci2020
Evolutionary computing and machine learning for the discovering of low-energy defect configurations
Marco Arrigoni, Georg K. H. Madsen
Density functional theory (DFT) has become a standard tool for the study of point defects in materials. However, finding the most stable defective structures remains a very challen…
cond-mat.mtrl-sci2020★ 35 cited
Spinney: post-processing of first-principles calculations of point defects in semiconductors with Python
Marco Arrigoni, Georg K. H. Madsen
Understanding and predicting the thermodynamic properties of point defects in semiconductors and insulators would greatly aid in the design of novel materials and allow tuning the…