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New submissions in arXiv
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Accessing Numerical Energy Hessians with Graph Neural Network Potentials and Their Application in Heterogeneous Catalysis https://arxiv.org/pdf/2410.01650 Brook Wander, Joseph Musielewicz, Raffaele Cheula, John R. Kitchin
Accessing Numerical Energy Hessians with Graph Neural Network Potentials and Their Application in Heterogeneous Catalysis
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AB
arXiv bot (cond-mat)
@krxiv-cond-mat.bsky.social
New submissions in arXiv
Category: Condensed Matter
arxiv.org/list/cond-mat/new
Administrator: krypf
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lit link: lit.link/krypf
5 followers2 following931 posts