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📢Out now! @andreasburger.bsky.social, @thematterlab.bsky.social and colleagues develop a direct approach for accurately and efficiently predicting molecular Hessians. www.nature.com/articles/s43... 🔓 #chemsky
nature.comHIP: Hessian Interatomic Potentials without derivatives - Nature Computational ScienceThe authors introduce an extension of machine learning interatomic potentials that predicts molecular Hessians directly, improving accuracy and speed compared in transition-state searches, geometry op...
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