Materials Informatics
Published February 15, 2019 | Version v1
Dataset Open

Bayesian Inference of Atomistic Structure in Functional Materials

Creators

  • 1. Aalto University
  • 2. University of Edinburgh
  • 3. University of Oslo

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.

Files

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Additional details

Related works

Is cited by
arXiv:1708.09274 (arXiv)

Funding

European Commission
SCARABEE – Scalable inference algorithms for Bayesian evolutionary epidemiology 742158
European Commission
NoMaD – The Novel Materials Discovery Laboratory 676580