Research AtomGPT & AGAPI Generative and agentic AI for materials design BatteryMat ML-accelerated DFT screening of battery cathodes SlaKoNet DB ML electronic-property prediction at scale CatalysisMat Learning adsorption energies for catalyst discovery RamanGPT ML for Raman spectroscopy of 2D materials GPU Scaling for Materials Benchmarking DFT & ML force fields on Blackwell GPUs