Correction: An automated protocol to construct flexibility parameters for classical forcefields: applications to metal–organic frameworks
Reza Ghanavati, Alma C. Escobosa, Thomas A. Manz
TL;DR
This paper presents a correction to a protocol for constructing flexibility parameters in classical forcefields for metal-organic frameworks.
Contribution
The correction improves the automated protocol for generating accurate flexibility parameters in molecular simulations.
Findings
The correction addresses errors in the original protocol for parameter construction.
Applications focus on enhancing simulations of metal–organic frameworks.
The revised protocol improves accuracy and reliability of classical forcefield modeling.
Abstract
Correction for ‘An automated protocol to construct flexibility parameters for classical forcefields: applications to metal–organic frameworks’ by Reza Ghanavati et al., RSC Adv., 2024, 14, 22714–22762, https://doi.org/10.1039/D4RA01859A.
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Taxonomy
TopicsMetal-Organic Frameworks: Synthesis and Applications · Machine Learning in Materials Science · Organic and Molecular Conductors Research