We discuss burgeoning efforts to use data-driven and machine learning methods for defect simulations; in our contribution to the 100 Years of Point Defects special collection in MRS Bulletin:
Plenty of challenges and opportunities alike!
link.springer.com/article/10.1...
link.springer.com
Accelerating point-defect simulations using data-driven and machine learning approaches - MRS Bulletin
Point defects in solid-state materials are now routinely simulated using large supercell structures, requiring efficient quantum mechanical solutions. Data-driven and machine learning (ML) models trai...
