User: Guest  Login
Document type:
Zeitschriftenaufsatz 
Author(s):
Mayr, F.; Gagliardi, A. 
Title:
Global property prediction: A benchmark study on open source, perovskite-like datasets 
Abstract:
Screening combinatorial space for novel materials - such as perovskite-like ones for photovoltaics - has resulted in a high amount of simulated high-troughput data and analysis thereof. This study proposes a comprehensive comparison of structural-fingerprint based machine-learning models on seven open-source databases of perovskite-like materials to predict bandgaps and energies. It shows that none of the given methods are able to capture arbitrary databases evenly, while underlining that common...    »
 
Keywords:
Materials Science (cond-mat.mtrl-sci); Data Analysis, Statistics and Probability (physics.data-an) 
Journal title:
arXiv:2010.10174v1 [cond-mat.mtrl-sci] 20 Oct 2020 2020-10 
Year:
2020 
Year / month:
2020-10 
Quarter:
4. Quartal 
Month:
Oct 
Pages contribution:
1-26 
Language:
en 
Publisher:
Cornell University