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

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

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THEOS

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THEOS

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

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  1. 1 THEOS
  2. 2 Reproducibility in science
  3. 3 Computational Infrastructure
  4. 4 Scalable workflow engine
  5. 5 Automated Full Data Provenance
  6. 6 Flexible Plugin System
  7. 7 Protocols
  8. 8 3D Crystal Database project
  9. 9 Experimental data set
  10. 10 Materials Cloud 3D crystals database

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