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Bayesian Inference of Atomistic Structure in Functional Materials

Dataset

Description

Configurational 5D DFT dataset of C60/TiO2 material accompanying the manuscript "Bayesian Inference of Atomistic Structure in Functional Materials" by M. Todorovic, M. U. Gutmann, J. Corander and P. Rinke.
Date made available15 Feb 2019
PublisherZenodo

Dataset Licences

  • CC-BY-4.0

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