Bayesian Inference of Atomistic Structure in Functional Materials

  • Milica Todorovic (Creator)
  • Michael U. Gutmann (Edinburgh College of Arts. Edinburgh) (Creator)
  • Jukka Corander (University of Oslo) (Creator)
  • Patrick Rinke (Creator)

Tietoaineisto

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.
Koska saatavilla2019
JulkaisijaZenodo

Dataset Licences

  • CC-BY-4.0

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