A2SD-2025

1st Advancing Autonomous Scientific Discovery Workshop At the intersection of artificial intelligence (AI) and scientific discovery lies a transformative frontier. The A2SD-2025 Workshop convenes leading minds from domain sciences, computing, and AI to pioneer the next generation of autonomous laboratories. As experimental facilities generate data at unprecedented scales and complexity, we face both extraordinary opportunities and critical challenges. Our collaborative effort addresses four pillars: hybrid AI systems grounded in scientific principles, universal interfaces for seamless equipment integration, real-time experimental decision-making capabilities, and robust ethical frameworks. By bridging human scientific intuition with autonomous systems, we aim to establish a global community that transcends institutional boundaries and democratizes access to cutting-edge research capabilities. Join us in shaping a future where autonomous science accelerates discovery while preserving the creative essence of human inquiry.   Invited Speakers Milad Abolhasani North Carolina State University Rosa M. Badia Barcelona Supercomputing Center Ewa Deelman University of Southern California Rob Moore Oak Ridge National Laboratory John Shalf Lawrence Berkeley National Laboratory Michela Taufer University of Tennessee, Knoxville Program Time Event 9:00 CET Welcome and Introductions Invited Talks 9:00-9:20 CET Data-Rich Autonomous Labs for Accelerated Materials and Molecular DiscoveryMilad Abolhasani, NCSU 9:20-9:40 CET COMPSs: Task-based Approach to Autonomous Laboratories Rosa M. Badia, BSC 09:40-10:00 CET Scientific Labs of the Future: Creating an Ecosystem for Multi-Domain Science Rob Moore, ORNL 10:00-10:20 CET Maximizing Returns on Investment of the National Science Data Fabric: Driving Practical Impact and Sustainable InnovationMichela Taufer, UTK 10:20-10:40 CET Self-Driving Laboratories and the Future of Autonomous ScienceJohn Shalf, LBNL 10:40-11:00 CET The Role of Computational Workflows in Experimental WorkflowsEwa Deelman, USC 11:00-11:30 CET Break 11:30-12:00 CET Panel with the Presenters 12:00-13:00 CET Open Discussions (drafting report)