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data-driven potential energy functions

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Category: Theoretical and Computational Chemistry

Data-Driven Many-Body Simulations of Biomolecules with CCSD(T) Accuracy: I. Polyalanine in the Gas Phase

, Authors: Ruihan Zhou, Ethan F. Bull-Vulpe, Yuanhui Pan, Francesco Paesani

Version 1 posted 25 March 2025

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ISSN 2573-2293 (Online) ChemRxiv Archive

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