Topic · Atomic and Molecular Physics, and Optics · Physics and Astronomy

Advanced Chemical Physics Studies

OpenAlex topic; a paper is listed when OpenAlex scores it at least 0.5 for this topic.

Bioinformatics·bioRxivPreprint·Aug 5, 2026
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CARS: A General Force Field for Carotenoids
Andrey Nikolaev, Yaroslav Orlov, Victoria Khanina, Ivan Gushchin
The paper introduces CARS, a transferable force field for carotenoids that improves simulation accuracy across diverse chemical structures and outperforms existing force fields.
DOI 10.64898/2026.07.31.742033
statistical model·software / tool
·𝕏 Post·Bluesky
Bioinformatics·bioRxivPreprint·Mar 5, 2026
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A Quantum Lens on Molecular Design: A Machine-Learned Energy Function from Interacting Quantum Atoms.
M. Hoffmann, A. Kazimir, T. Oestereich…+3 more authors·Christina Lamers
The paper introduces a machine learning framework to predict accurate energy functions derived from the Interacting Quantum Atoms (IQA) scheme, enabling rapid and interpretable analysis of molecular interactions.
DOI 10.64898/2026.03.03.709242
machine learning (classical)
·𝕏 Post·Bluesky