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THEOS
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Reproducibility in science
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Computational Infrastructure
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Scalable workflow engine
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Automated Full Data Provenance
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Flexible Plugin System
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Protocols
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3D Crystal Database project
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Experimental data set
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Materials Cloud 3D crystals database
Description:
Learn to manage high-throughput workflows using AiiDA in this 11-minute tutorial from the Advanced Quantum ESPRESSO series. Explore key concepts including reproducibility in science, computational infrastructure, and scalable workflow engines. Discover how AiiDA implements automated full data provenance and offers a flexible plugin system. Examine protocols for handling 3D crystal databases and experimental data sets. Gain insights into the Materials Cloud 3D crystals database project and its applications in quantum materials research.

Managing High-Throughput Workflows with AiiDA - Advanced Quantum ESPRESSO Tutorial

Materials Cloud
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