Benutzer: Gast  Login
Titel:

Global property prediction: A benchmark study on open source, perovskite-like datasets

Dokumenttyp:
Zeitschriftenaufsatz
Autor(en):
Mayr, F.; Gagliardi, A.
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...     »
Stichworte:
Materials Science (cond-mat.mtrl-sci); Data Analysis, Statistics and Probability (physics.data-an)
Zeitschriftentitel:
arXiv:2010.10174v1 [cond-mat.mtrl-sci] 20 Oct 2020-10
Jahr:
2020
Jahr / Monat:
2020-10
Quartal:
4. Quartal
Monat:
Oct
Seitenangaben Beitrag:
1-26
Sprache:
en
WWW:
https://arxiv.org/abs/2010.10174
Verlag / Institution:
Cornell University
 BibTeX