DefectDB: An Open Source Infrastructure for Defect Thermodynamics in II--VI Semiconductors
Abstract
DefectDB is a unified, ML-accelerated defect informatics platform for Cd/Zn–S/Se/Te semiconductors that combines high-throughput DFT, machine-learning force fields, and interactive analysis tools.
Fields of Study & Subjects
Machine Learning in Materials Science
Advanced Chemical Physics Studies
Semiconductor materials and interfaces
Publication details
- Journal / source
- HubZero
- Publication date
- 1 January 2026
- Language
- EN