Artificial Intelligence for Science

DOE’s basic and applied science missions involve tackling some of humanity's most pressing challenges, from understanding the fundamental building blocks of matter to discovering new energy technologies. These endeavors generate massive, complex datasets that traditional methods struggle to analyze fully. AI offers transformative tools to extract unprecedented insights from these data, accelerate scientific discovery, and enhance our understanding of the universe and the world around us. DOE's world-leading supercomputers and expert workforce are uniquely positioned to leverage the power of AI for science at scale. 

AI is already enhancing several core areas of DOE's scientific research: 

• Multiscale Simulations: AI-powered surrogate models are dramatically accelerating complex simulations, allowing scientists to explore far larger parameter spaces and achieve higher fidelity than ever thought possible. This is leading to breakthroughs in materials science, fusion energy, high-energy physics, and other scientific fields. 
• Experimental Control and Design: AI is optimizing experiments, automating data acquisition, and even suggesting follow-up experiments in near real-time. This is streamlining the scientific process, reducing costs, and accelerating the pace of discovery at DOE facilities like the Advanced Photon Source and the Facility for Rare Isotope Beams. 
• Knowledge Discovery and Hypothesis Generation: Advanced AI models are helping scientists identify patterns, anomalies, and previously hidden relationships in massive datasets, generating new hypotheses and accelerating the scientific method. 
• Robotics and Autonomous Systems: AI-driven robotics is automating complex laboratory tasks, freeing up researchers to focus on higher-level analysis and interpretation. This is particularly valuable for hazardous or repetitive tasks.