The Advanced Research Projects Agency-Energy (ARPA-E) at the U.S. Department of Energy (DOE) has released a Notice of Funding Opportunity (NOFO) for the Quantum Computing for Computational Chemistry (QC3) program, under funding opportunity DE-FOA-0003483. This program invites Small Business Innovation Research (SBIR) and Small Business Technology Transfer (STTR) applications focused on developing quantum computing technologies that advance computational chemistry and materials science for energy applications. The goal is to support quantum research projects that can achieve exponential improvements in computation—specifically, a 100x speed, accuracy, or size increase over classical computing methods for designated energy-relevant problems. The program anticipates approximately $30 million in funding, divided between NOFO DE-FOA-0003483 (SBIR/STTR) and a related funding opportunity.

The QC3 program's primary objective is to overcome computational limitations in classical chemistry simulations that are critical to energy innovation. Using a full-stack approach, ARPA-E encourages proposals that address challenges in algorithm development, software optimization, and quantum hardware integration. These projects must target energy-relevant issues such as high-temperature superconductivity, catalyst design, and battery chemistry. Successful applications will demonstrate potential impacts, such as enabling significant energy savings (estimated at one quadrillion British Thermal Units) or reducing CO₂ emissions by up to one gigaton.

Eligibility for the QC3 program includes U.S.-based small businesses that meet SBIR/STTR program requirements. Applications can include partnerships with research institutions but must meet project participation requirements where the small business must complete at least 50% of the work in Phase II. Teams must demonstrate access to quantum hardware to validate their computational models, and all work must be conducted within the United States unless a waiver is requested and approved.

Applications are evaluated based on their transformative potential, scientific merit, and team capabilities. ARPA-E has set stringent technical targets for successful projects, including a mandatory 100x improvement over the classical state-of-the-art solution, validated scalability of solutions for near-term quantum hardware, and clearly defined commercialization pathways. Proposals must be submitted initially as concept papers by November 21, 2024, with full applications invited based on preliminary review outcomes. Award selections are anticipated in May 2025, with funding agreements expected by August 2025 for a project duration of up to three years.

Applicants are encouraged to carefully follow the NOFO guidelines for document submission, formatting, and eligibility to avoid disqualification. They should also be prepared for ARPA-E’s substantial involvement throughout the project, including milestone evaluations and technical oversight to ensure alignment with program goals.