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Quantum extreme learning of molecular potential energy surfaces and force fields

Quantum machine learning algorithms are expected to play a pivotal role in quantum chemistry simulations in the immediate future. One such key application is the training of a quantum neural network to learn the potential energy surface and force field of molecular systems. We address this task by u...

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Bibliographic Details
Main Authors: Gabriele Lo Monaco, Marco Bertini, Salvatore Lorenzo, G Massimo Palma
Format: Artigo
Language:Inglês
Published: IOP Publishing 2024-01-01
Series:Machine Learning: Science and Technology
Subjects:
Online Access:https://doi.org/10.1088/2632-2153/ad6120
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