Materials Cloud, a platform for open computational science-Reference-Cited by-同舟云学术

Materials Cloud, a platform for open computational science

Published:2020-09-08 Issue:1 Volume:7 Page:
ISSN:2052-4463
Container-title:Scientific Data
language:en
Short-container-title:Sci Data

Author:

Talirz Leopold^ORCID,Kumbhar Snehal,Passaro Elsa,Yakutovich Aliaksandr V.^ORCID,Granata Valeria,Gargiulo Fernando,Borelli Marco^ORCID,Uhrin Martin,Huber Sebastiaan P.,Zoupanos Spyros^ORCID,Adorf Carl S.^ORCID,Andersen Casper Welzel^ORCID,Schütt Ole,Pignedoli Carlo A.^ORCID,Passerone Daniele^ORCID,VandeVondele Joost,Schulthess Thomas C.^ORCID,Smit Berend^ORCID,Pizzi Giovanni^ORCID,Marzari Nicola^ORCID

Abstract

AbstractMaterials Cloud is a platform designed to enable open and seamless sharing of resources for computational science, driven by applications in materials modelling. It hosts (1) archival and dissemination services for raw and curated data, together with their provenance graph, (2) modelling services and virtual machines, (3) tools for data analytics, and pre-/post-processing, and (4) educational materials. Data is citable and archived persistently, providing a comprehensive embodiment of entire simulation pipelines (calculations performed, codes used, data generated) in the form of graphs that allow retracing and reproducing any computed result. When an AiiDA database is shared on Materials Cloud, peers can browse the interconnected record of simulations, download individual files or the full database, and start their research from the results of the original authors. The infrastructure is agnostic to the specific simulation codes used and can support diverse applications in computational science that transcend its initial materials domain.

Publisher

Springer Science and Business Media LLC

Subject

Library and Information Sciences,Statistics, Probability and Uncertainty,Computer Science Applications,Education,Information Systems,Statistics and Probability

Link

https://www.nature.com/articles/s41597-020-00637-5.pdf

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