Evaluation of Neural Networks for Improved Computational Cost in Carbon Nanotubes Geometric Optimization

Geometric optimization of carbon nanotubes (CNTs) is a fundamental step in computational simulations, enabling precise studies of their properties for various applications. However, this process becomes computationally expensive as the molecular structure grows in complexity and size. To address thi...

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Bibliographic Details
Main Authors: Luis Josimar Vences-Reynoso, Daniel Villanueva-Vasquez, Roberto Alejo-Eleuterio, Federico Del Razo-López, Sonia Mireya Martínez-Gallegos, Everardo Efrén Granda-Gutiérrez
Format: Article
Language:English
Published: MDPI AG 2025-05-01
Series:Modelling
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Online Access:https://www.mdpi.com/2673-3951/6/2/36
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