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Global optimisation study of Fe-containing silicates

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Set of scripts to perform a global optimisation study of Fe-containing silicate nanoclusters. This project contains utilities to perform the global optimisation studies themselves, as well as tools for results post-processing, organization and interpretation.

global optim... astrochemistry chemistry computationa... Computationa... Python shell basin-hopping MACE gofee nanomaterials nanoclusters silicates

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GNU General Public License v3.0 or later

Created on

October 01, 2025

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