sciai-lab/boa
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Orbital-free Density Functional Theory (OF-DFT)
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Scientific AI
Hamprecht Lab · IWR · Heidelberg University
We are the Hamprecht Lab at IWR, Heidelberg University. We develop principled machine-learning methods for spatially structured scientific problems, with a current focus on geometric machine learning for quantum chemistry. Our expertise also spans image analysis, graph partitioning, and representation learning.
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