2022 article

Inverse Materials Design of Doping Strategies with AI, Thermodynamics, and Density Functional Theory

Baker, J. N., & Irving, D. L. (2022, January 7). JOM.

By: J. Baker* & D. Irving n

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. (via Semantic Scholar)
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Source: Web Of Science
Added: January 18, 2022