The National Science Foundation (NSF) Division of Chemistry awarded a $539,999 Project Grant to the University of Houston under the Mathematical and Physical Sciences program (CFDA 47.049) to carry out computational quantum chemistry research. The purpose of the research is to explore, test, and validate molecular-level design principles for functional carbon-rich materials, such as light-responsive polymers, nanotubes, and organic electronics. The expected outcomes include the development of...
The National Science Foundation Division of Chemistry awarded a $1.8 million Project Grant to the University of California, Los Angeles to establish the NSF Center for Advanced Molecular Architectures for Quantum Information Science under the Mathematical and Physical Sciences program (CFDA 47.049). The Center will develop new molecular and surface platforms containing molecular appendages that can serve as quantum bits for quantum computing. A team led by Professor Anastassia Alexandrova and...
The National Science Foundation (NSF) Division of Chemistry awarded a $180,537 project grant to the University of California, Davis under the CFDA 47.049 Mathematical and Physical Sciences program. The grant supports the development of new theoretical methods for simulating photoreactions in biological environments. Specifically, the project aims to create multi-scale quantum mechanical/molecular mechanics (QM/MM) approaches that can accurately model the behavior of photoexcited molecules within...
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 Northwestern University a $420,000 Project Grant under the Mathematical and Physical Sciences federal grant program (CFDA 47.049) to support research titled "Quantum Control of Nanochemistry" from August 15, 2021 through July 31, 2024. The grant aims to advance scientific understanding of major problems confronting the nation through research promoting progress in the mathematical and physical sciences. Specifically, the...
The National Science Foundation (NSF) Division of Chemistry awarded a $334,000 Project Grant under the Mathematical and Physical Sciences program (CFDA 47.049) to the University of South Carolina (USC) to develop theoretical and computational methods incorporating quantum mechanics for studying the properties and behaviors of molecular systems and nanomaterials. The project, led by Professor Sophya Garashchuk, aims to gain a fundamental understanding of chemical reactivity, charge and energy...
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 $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 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 $499,999 National Science Foundation project grant in the Mathematical and Physical Sciences program (CFDA 47.049) supports the development of new quantum chemistry algorithms by Professor David Mazziotti and his research group at the University of Chicago from September 2022 through August 2025. The grant aims to enable applications to more complex chemical systems through exploring reduced density matrix theory in combination with recent advances in quantum computing, machine learning,...