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
Overview
Syllabus
THEOS
Reproducibility in science
Computational Infrastructure
Scalable workflow engine
Automated Full Data Provenance
Flexible Plugin System
Protocols
3D Crystal Database project
Experimental data set
Materials Cloud 3D crystals database
Taught by
Materials Cloud
