Quantum Computing for Computational Chemistry (QC3)

The Advanced Research Projects Agency-Energy (ARPA-E) has issued a Notice of Funding Opportunity (NOFO) under the Quantum Computing for Computational Chemistry (QC3) initiative, designated as DE-FOA-0003482. This program aims to harness quantum computing technology to advance computational chemistry and materials science, specifically targeting applications in energy. With a budget of approximately $30 million for both this NOFO and DE-FOA-0003483, the program expects to fund 5-10 awards, ranging between $250,000 and $10 million. The QC3 program encourages transformative quantum computing solutions to overcome computational limitations in chemistry and materials science, which are critical to advancing energy technology. Projects must deliver a scalable, generalizable quantum advantage that surpasses current classical methods by at least 100 times in speed, accuracy, or problem scale, relevant to issues like catalyst design, superconductivity, and battery chemistry. Successful outcomes should lead to significant reductions in energy consumption or emissions, ideally equivalent to one quadrillion BTUs or one gigaton of CO₂ emissions. Eligibility includes U.S.-based institutions such as higher education entities, national labs, nonprofits, and small businesses. Proposals from consortia that include foreign entities are permitted, provided a U.S. representative is designated as the lead. Participants must submit a concept paper by November 21, 2024, including a letter of intent for quantum hardware access, and may only submit a full application upon invitation. All work must be executed in the United States, with limited exceptions granted through a waiver process. Projects are reviewed based on impact, scientific merit, team capabilities, and management plan, with ARPA-E substantially involved throughout the process to ensure timely progress and high-impact outcomes. Awards are anticipated by August 2025, with a three-year project performance period concluding in 2028.