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Nicolas Castel

3 results in Authors: Nicolas Castel

Theoretical and Computational Chemistry

Machine Learning Interatomic Potentials for Amorphous Zeolitic Imidazolate Frameworks

Nicolas Castel, Dune André, Connor Edwards, Jack D. Evans, François-Xavier Coudert

Version 2 posted 03 January 2024

473

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Theoretical and Computational Chemistry

Challenges in Molecular Dynamics of Amorphous ZIFs using Reactive Force Fields

Nicolas Castel, François-Xavier Coudert

Version 2 posted 26 October 2022

419

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Materials Science

Computation of Finite Temperature Mechanical Properties of Zeolitic Imidazolate Framework Glasses by Molecular Dynamics

Nicolas Castel, François-Xavier Coudert

Version 3 posted 02 May 2023

508

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