Minisymposium Presentation

For the past two decades, computational workflows and workflow management systems have enabled the automation of complex computing applications. They have empowered scientists to describe their computational problems in terms of tasks that need to be executed, the data they need to process, and in which order the tasks need to be performed. Because of the workflow formalism and the automation provided by workflow management systems, scientists in a number of domains, including bioinformatics, astronomy, earthquake science, and gravitational-wave physics have been able to achieve breakthroughs otherwise not possible.

Recently, experimental workflows in biology, chemistry, and material science are being formalized and their execution is being enabled via automation provided by cloud and self-driving labs. However, there is currently no connection between computational and experimental workflows.

This talk explores the synergies between computational and experimental workflow systems and how they can potentially complement each other to achieve scientific objectives.