This $600,000 Project Grant from the National Science Foundation's Division of Chemistry, under the Mathematical and Physical Sciences program (CFDA 47.049), will support research into practical strategies for implementing quantum chemistry on near-term quantum computers. James Freericks of Georgetown University and Dominika Zgid of the University of Michigan will collaborate to develop hybrid quantum-classical methodologies to run important parts of calculations on noisy intermediate-scale...
This National Science Foundation (NSF) Project Grant award under the Mathematical and Physical Sciences (CFDA 47.049) federal grant program provides $313,909 to the University of Chicago to support two lines of research: (1) exploring quantum super-chemistry at ultralow temperatures and (2) investigating the transition between the RKKY mechanism and Efimov three-body bound states in quantum mixtures. The first research focus aims to discover guiding principles of quantum super-chemistry and...
This Project Grant award, funded by the National Science Foundation (NSF) under the Mathematical and Physical Sciences program (CFDA 47.049), aims to develop a software framework to make it easier to implement advanced quantum chemistry methods on emerging hardware. The $784,535 award, effective September 15, 2024 through August 31, 2028, will support a collaborative effort by researchers from Georgia Tech, the University of Georgia, Virginia Tech, and the University of Memphis. The team will...
This National Science Foundation (NSF) Project Grant award, under the Mathematical and Physical Sciences (CFDA 47.049) program, supports Virginia Commonwealth University (VCU) Professor Ka Un Lao's research to develop a next-generation theoretical framework for accurate, efficient, and stable quantum chemistry simulations. The $129,874 award, effective January 1, 2025 through December 31, 2029, focuses on integrating advanced quantum chemistry techniques with mathematical tools from differential...
This $105,767 federal Project Grant award from the National Science Foundation's (NSF) Mathematical and Physical Sciences program (CFDA 47.049) aims to develop new quantum algorithms and schemes to extend the capabilities of quantum devices and apply them to challenging problems in heavy-element computational chemistry. The research focuses on advancing relativistic quantum chemistry through improved error mitigation algorithms and optimization strategies to enable accurate ground and excited...
The National Science Foundation Division of Chemistry awarded a $387,874 Project Grant to the University of Chicago to develop new theoretical and computational tools for efficiently estimating long-time molecular thermodynamics and kinetics. Under the Mathematical and Physical Sciences (CFDA 47.049) federal grant program, Andrew Ferguson of the University of Chicago will establish novel simulation approaches enabled by machine learning and new mathematical theorems to simulate biomolecules...
The University of Chicago was awarded a $550,000 Project Grant from the National Science Foundation (NSF) Division of Chemistry under the Mathematical and Physical Sciences program (CFDA 47.049) to support research using multiconfiguration pair-density functional theory for spectroscopy and photochemistry from August 1, 2021 through July 31, 2024. As part of the NSF's mission to promote progress in the mathematical and physical sciences, this award will fund the development and application of...
This $300,000 Project Grant award from the National Science Foundation's (NSF) Division of Chemistry under the Mathematical and Physical Sciences program (CFDA 47.049) aims to develop robust, reliable, and sustainable cyberinfrastructure products that integrate constrained nuclear-electronic orbital functionalities into widely used quantum chemistry and molecular dynamics software packages. The key products to be delivered include modular extensions of the constrained nuclear-electronic...
This three-year, $599,998 Project Grant from the National Science Foundation's Division of Chemistry will support research into practical strategies for implementing quantum chemistry on near-term quantum computers. James Freericks of Georgetown University and Dominika Zgid of the University of Michigan will develop hybrid quantum-classical methodologies to run calculations on noisy intermediate-scale quantum devices and classical computers. They will investigate tradeoffs between program length...
This $449,999 federal Project Grant awarded by the National Science Foundation (NSF) Division of Chemistry under the Mathematical and Physical Sciences (CFDA 47.049) program supports research led by Professor George Schatz of Northwestern University. The project is developing new theory and computational methods to characterize the interaction of classical and quantum light with molecules, with applications in photon-based quantum computing and secure communications technologies. Key...