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Updated
Sep 9, 2025 - HTML
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alchemi
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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
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May 15, 2026 - Python
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