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3 results in Authors: Dylan Anstine

Theoretical and Computational Chemistry

AIMNet2: A Neural Network Potential to Meet your Neutral, Charged, Organic, and Elemental-Organic Needs

Dylan Anstine, Roman Zubatyuk, Olexandr Isayev

Version 3 posted 20 December 2024

8,127

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7

Citations

Transferable Machine Learning Interatomic Potential for Pd-Catalyzed Cross-Coupling Reactions

Dylan Anstine, Roman Zubatyuk, Liliana Gallegos, Robert Paton, Olaf Wiest, Benjamin Nebgen, Travis Jones, Gabe Gomes, Sergei Tretiak, Olexandr Isayev

Version 1 posted 18 March 2025

992

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Polymer Science

Design of Tough 3D Printable Elastomers with Human-in-the-Loop Reinforcement Learning

Johann Rapp, Dylan Anstine, Filipp Gusev, Filipp Nikitin, Kelly Yun, Mia Borden, Vittal Bhat, Olexandr Isayev, Frank Leibfarth

Version 1 posted 24 March 2025

412

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