GPU-accelerated AI for solid-state battery materials discovery — GNN property prediction, graph diffusion DDPM, DeepMD MLMD, and NVIDIA ALCHEMI BCS/BMD NIM integration on NREL Kestrel H100
machine-learning deep-learning hpc cuda pytorch nvidia molecular-dynamics-simulation drug-discovery materials-science nvidia-cuda nvidia-gpu diffusion-model pytorch-geometric graph-neural-network alchemi alchemist-simulator generative-ai materials-science-simulations solid-state-battery
-
Updated
May 15, 2026 - Python