2 papers
cond-mat.mtrl-sci2025
Accelerated prediction of dielectric functions in solar cell materials with graph neural networks
Caden Ginter, Kamal Choudhary, Subhasish Mandal
We present an atomistic line graph neural network (ALIGNN) model for predicting dielectric functions directly from crystal structures. Trained on 7000 dielectric functions fr…
cond-mat.mtrl-sci2025
The JARVIS Infrastructure is All You Need for Materials Design
Kamal Choudhary
The Joint Automated Repository for Various Integrated Simulations (JARVIS) is a unified platform for multiscale, multimodal, forward, and inverse materials design. It integrates di…