Inverse Materials Design of Doping Strategies with AI, Thermodynamics, and Density Functional Theory
Baker, J. N., & Irving, D. L. (2022, January 7). JOM.
TL;DR:
This work presents a novel approach for inverse materials design as it relates to point defect engineering: a particle swarm optimizer to aid in the design of doping profiles, particularly when working with multiple dopants and compound or wide band gap materials.
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