Inverse design of semiconductor materials with deep generative models
Chenglong Qin, Jinde Liu, Shiyin Ma, Jiguang Du, Jiang Gang, Liang L. Zhao · Journal of Materials Chemistry A · 2024
To generate thermodynamically stable semiconductor materials, a generative inverse design framework that integrates VAE, GAN, and DDPM along with chemical validity testing and template-based structure prediction (TSP) was proposed.