Led by Dr. Anubhav Jain and based in Berkeley, California (near San Francisco), the Hacking Materials group builds and applies theory, high performance computing, and AI to accelerate the discovery, design, and synthesis of energy-relevant materials. We develop community data and software infrastructure, collaborate closely with experimental and autonomous labs to translate computational hypotheses into synthesized materials and validated measurements, and use large-scale literature and database mining to guide data-driven research. Current research areas include:

• The Materials Project - open-access computed materials property data and analysis tools that support data-driven materials design
• FORUM-AI - an open-source, agentic AI platform for materials science that orchestrates reasoning agents across literature, databases, large-scale simulations, and robotic experiments
• Data-driven synthesis science - combining NLP-driven extraction of synthesis knowledge with modeling, characterization, and autonomous experimentation to learn and suggest inorganic synthesis pathways
• DuraMAT data and analytics - PV module durability and degradation research with an emphasis onreliability-focused data science
• Open-source software for high-throughput materials workflows and crystal-structure analysis (for example pymatgen, FireWorks, atomate2, and related tools)