Federal Project Grant Award Summary

The National Science Foundation (NSF) Division of Chemistry awarded $802,604 to New York University under the Mathematical and Physical Sciences program (CFDA 47.049) on April 1, 2026, for a three-year collaborative research initiative through March 31, 2029. This project grant supports the development of hardware-specific quantum algorithms for path integral-based quantum molecular simulation, led by Principal Investigators Mark Tuckerman and Norah Hoffmann at NYU in collaboration with Nandini Ananth at Cornell University. The research team will create novel quantum computing algorithms capable of predicting exact quantum properties of molecules under thermal conditions representative of typical laboratory settings, leveraging Richard Feynman's path integral formulation of quantum theory to naturally incorporate both thermal and quantum effects at finite temperatures.

The deliverables encompass quantum computing strategies targeted at emerging quantum computing architectures including spin-based, bosonic (quantum resonator-based), and topological constructions, with applications to molecular systems in isolated states and under structured light influence. Beyond the core research products, the award supports significant educational components designed to build workforce capacity in quantum computing, including development of internships, course materials, and summer programs that train next-generation scientists at the intersection of physics, chemistry, mathematics, and computer science. These research and educational outputs align with the NSF's emphasis on quantum information science as a national priority and support the agency's objective to strengthen the nation's scientific enterprise through fundamental research and enhanced human capital development.