DefectDB: An Open Source Infrastructure for Defect Thermodynamics in II--VI Semiconductors

HubZero 2026 Open access

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Authors: Md Rahman, Arun Kanakkithodi
DOI: 10.21981/qmpj-hm45
Cited by: 0

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