Xing Wang
Dr. Xing Wang is a postdoctoral researcher in chemical and materials engineering at the Paul Scherrer Institute (PSI) in Switzerland. He earned his PhD from ETH Zürich and his Bachelor's and Master's degrees from Central South University, China. Dr. Wang's research focuses on high-throughput computing, scientific data management, computational materials science, heterogeneous catalysis, and spectroscopy computations. He has led several open-source projects, such as the development of AiiDA-WorkGraph and AiiDAlab QEApp, and contributed to platforms like Materials Cloud.
Paul Scherrer Institute
Git*hub|lab –Session
AiiDA is a workflow manager with a strong focus on reproducibility through automated data provenance. In this talk we discuss what it means to have full “data provenance” for scientific workflows, the advantages it offers, but also the challenges it represents for new users and how we deal with them.