Nicholas Casetti

2PUBLICATIONS
5CO-AUTHORS
Computational chemistryTheoretical quantum chemistry
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Publications (2)

|Oct 09, 2025
Anticipating the Selectivity of Intramolecular Cyclization Reaction Pathways with Neural Network Potentials.

Nicholas Casetti, Dylan Anstine, Olexandr Isayev

|Nov 27, 2024
Comment on "Molecular hypergraph neural networks" [J. Chem. Phys. 160, 144307 (2024)].

Nicholas Casetti, Pragnay Nevatia, Junwu Chen

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