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Dral's Group AI-enhanced computational chemistry | LOOKING FOR POSTDOCS WITH DIFFERENT EXPERTISE (QM AND ML METHOD DEVELOPMENT, SOLID-STATE MEHOD DEVELOPMENT, APPLICATIONS AND MORE)

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Tag: MLP

JPCL | Tell Machine Learning Potentials What They Are Needed For: Simulation-Oriented Training

Machine Learning in Chemistry, Method Development

JPCL | Tell Machine Learning Potentials What They Are Needed For: Simulation-Oriented Training

Fuchun Ge Apr 17, 2024 Tagged with JPCL, ML, MLatom, MLP, publications

A machine learning potential with low error in the potential energies does not guarantee good performance …

JPCL | Tell Machine Learning Potentials What They Are Needed For: Simulation-Oriented Training Read more →

(p)KREG Models for Accurate Molecular Potential Energy Surfaces

Machine Learning in Chemistry, News

(p)KREG Models for Accurate Molecular Potential Energy Surfaces

Yifan Hou Jun 1, 2023 Tagged with JCTC, KREG, KRR, ML, MLatom, MLP, PES, publications

We improved (p)KREG models for an accurate representation of molecular potential energy surfaces (PESs) by including …

(p)KREG Models for Accurate Molecular Potential Energy Surfaces Read more →

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