Band alignment

2 items, newest first.

2025
Publication
Machine Learning-Driven First-Principles Modeling of Far-Infrared Materials
Ritwik Das. PhD thesis, Université Paris-Saclay, C2N (CNRS). NNT 2025UPAST100
Physics AI/ML Bayesian optimization Gaussian processes Machine learning DFT+U Hybrid functionals GW InSb InAsSb alloys Heterointerfaces Band alignment Virtual crystal approximation Alloys Infrared materials Semiconductors
PhD, completed 2025
Project
Machine-learning-driven modeling of far-infrared semiconductors
InSb, InAs, InAsSb alloys and CdTe/InSb heterointerfaces from first principles.
Physics Electronics Semiconductors Infrared materials InSb InAsSb alloys Heterointerfaces Alloys DFT DFT+U Hybrid functionals GW DFPT Band alignment Bayesian optimization Machine learning