openalexAIP Publishing2026-07-23
Functional Machine Learning Modeling of Electronic Bandgap
Sergey Levchenko, Saeid Abedi, S. Javad Hashemifar, Mahsa Sharifi Haghighi, Samira Baninajarian
We present a systematic study of how functional classification of electronic bandgaps improves subsequent machine learning modelings in a group of more than ten thousand semiconductors and insulators. In this regard, we utilize a homemade Python package, MatFeaLib, for systematic…