Search

Categories

Materials Science

(2)

Theoretical and Computational Chemistry

(3)

Content Types

Working Paper

(3)

Published Date

Last 3 years

(3)

Keywords

Authors

Nicolas Castel

3 results in Authors: Nicolas Castel

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

562

Downloads

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

544

Downloads

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

577

Downloads