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The ever-growing availability of computing power and the sustaineddevelopment of advanced computational methods have contributed much to recentscientific progress. These developments present new challenges driven by thesheer amount of calculations and data to manage. Next-generation exascalesupercomputers will harden these challenges, such that automated and scalablesolutions become crucial. In recent years, we have been developing AiiDA(http://www.aiida.net), a robust open-source high-throughput infrastructureaddressing the challenges arising from the needs of automated workflowmanagement and data provenance recording. Here, we introduce developments andcapabilities required to reach sustained performance, with AiiDA supportingthroughputs of tens of thousands processes/hour, while automatically preservingand storing the full data provenance in a relational database making itqueryable and traversable, thus enabling high-performance data analytics.AiiDA's workflow language provides advanced automation, error handling featuresand a flexible plugin model to allow interfacing with any simulation software.The associated plugin registry enables seamless sharing of extensions,empowering a vibrant user community dedicated to making simulations morerobust, user-friendly and reproducible.

AiiDA 1.0, a scalable computational infrastructure for automated reproducible workflows and data provenance