Quantum Computing for Computational Chemistry (QC3)

Quantum Computing for Computational Chemistry (QC3) is sponsored by Department of Energy (DOE) ARPA-E. The Quantum Computing for Computational Chemistry (QC3) program provides funding to support quantum computing projects that aim to solve pivotal problems beyond the reach of classical computers.

Quantum Computing for Computational Chemistry The Quantum Computing for Computational Chemistry program (QC 3) aims to harness the transformative power of quantum computing to accelerate energy innovation.

Computation plays an essential role in modern research and development, but classical, nonquantum computers struggle to simulate quantum systems with the speed, scale, and accuracy necessary to advance many commercial energy applications. This program will support the research and development of scalable, generalizable quantum computing approaches for computational chemistry and materials science.

Despite the power of classical computational methods, many important problems—especially in chemistry and materials science—remain frustratingly out of reach.

The first quantum revolution established fundamental laws that determine the behavior of atoms and molecules, but exact solutions of these laws are staggeringly difficult The QC 3 program focuses on developing and applying quantum algorithms in key energy research areas where classical methods are insufficient.

This includes the developing quantum algorithms for computational chemistry, translating those algorithms into quantum circuits or analog programs, and rigorously validating against classical benchmarks and experiments.

The goal is to run these algorithms on a quantum computer with approximately 100 logical qubits and show a scalable 100x improvement in performance over classical computation for QC 3 will unleash energy innovation through direct application of quantum computing.

This innovation sustains American energy dominance and propels American leadership in computational chemistry that enables technologies like superconductors, materials science, and fuels synthesis. QC 3 will enable innovations in energy technologies through breakthroughs in computational chemistry.

These innovations can drive huge gains in efficiency of the chemical processes that that form the bedrock of modern life like nitrogen fixation and the energy efficiency of computing. QC 3’s projects will create solutions in critical technologies with transformative effects for America’s supply of affordable, reliable, and secure energy.

Enabled by QC 3, the accelerated development and deployment of rare-earth-free superconductive material, superior batteries, and faster fuel synthesis will drive economic growth and further American technological leadership.