mkite: A distributed computing platform for high-throughput materials simulations

Advances in high-throughput simulation (HTS) software enabled computational databases and big data to become common resources in materials science. However, while computational power is increasingly larger, software packages orchestrating complex workflows in heterogeneous environments are scarce. T...

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Bibliographische Detailangaben

Veröffentlicht in:	Computational materials science 2023-10, Vol.230, p.112439, Article 112439
1. Verfasser:	Schwalbe-Koda, Daniel
Format:	Artikel
Sprache:	eng
Schlagworte:	Data sharing Distributed computing High-throughput simulations MATERIALS SCIENCE MATHEMATICS AND COMPUTING Workflow management
Online-Zugang:	Volltext
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