Creating Complex Scientific Workflows that Reach into the Real World - IPAM at UCLA

Explore the challenges and solutions in creating complex scientific workflows that bridge computational and real-world laboratory environments. Delve into the development of ESCALATE (Experiment Specification, Capture And Laboratory Automation TEchnology), an open-source data management software designed to abstract experiment planning algorithms and facilitate communication between humans and machines. Discover how this system has been applied to partially-automated syntheses of halide perovskites and learn about its features, including cheminformatics descriptor featurizations for machine learning applications. Gain insights into the practical challenges of implementing and maintaining such software in academic settings, and understand the potential for advancing scientific research through improved automation and data management techniques.