AiiDA Common Workflows: Turn-Key Solutions for High-Throughput Materials Simulations
Explore the AiiDA common workflows project in this 25-minute presentation. Learn about DFT materials simulations, challenges in high-throughput computing, and data provenance. Discover the AiiDA plugin framework and registry, and understand the need for turn-key solutions in computational materials science. Delve into code interoperability through common workflow interfaces, examining key features like common inputs and outputs in the relaxation workflow. Understand how input generators and Python submission scripts make workflows both easy to use and customizable. Get insights into future plans, including the second phase of collaboration. Explore accessibility options through Quantum Mobile and Materials Cloud. Gain a comprehensive overview of AiiDA's capabilities and its impact on streamlining materials simulations.