Project Grant 2449329
Award Date 9/1/25
Completion Date 8/31/26
Dollars Obligated $266K
Federal Agency
Federal Grant Program
Assistance Type
Project Grant
Place of Performance
Atlanta, GA 30318, USA
Similar Awards
- This $340,000 Project Grant award from the National Science Foundation's Computer and Information Science and Engineering (CISE) Federal Grant Program (CFDA 47.070) will fund the development of the next-generation Python Simulations of Chemistry Framework (PySCF) software platform. The project aims to make electronic structure simulations faster, more robust, and more accessible to computational scientists across disciplines. Key objectives include: Developing GPU-accelerated quantum chemistry...
- This $300,000 EAGER award from the National Science Foundation's (NSF) Division of Chemistry, under the Mathematical and Physical Sciences (CFDA 47.049) program, supports the development of quantum-inspired electronic structure theory methods by Virginia Polytechnic Institute & State University (Virginia Tech). The project aims to leverage ideas from quantum algorithms to create novel classical algorithms for accelerating chemistry simulations on current classical computers. The key...
- 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...
- Under this $653,043 Project Grant award from the National Science Foundation's (NSF) Mathematical and Physical Sciences program (CFDA 47.049), Professor Ka Un Lao of Virginia Commonwealth University (VCU) will develop a next-generation theoretical framework for accurate, efficient, and stable quantum chemistry simulations. This framework will address longstanding computational challenges in modeling complex transition-metal-containing systems, which are crucial for advancing clean energy...
- This $680,000 Project Grant award, provided by the National Science Foundation (NSF) under the Mathematical and Physical Sciences (CFDA 47.049) program, supports the development of the next-generation Python Simulations of Chemistry Framework (PySCF) software platform. The project aims to make electronic structure simulations faster, more robust, and more accessible to computational scientists across disciplines such as energy technology, catalysis, drug discovery, and quantum materials. By...
- This Project Grant award from the National Science Foundation (NSF) Computer and Information Science and Engineering (CISE) program (CFDA 47.070) provides $300,000 to develop cyberinfrastructure products that integrate constrained nuclear-electronic orbital (CNEO) functionalities into widely used computational chemistry software packages. The project aims to implement CNEO-DFT and CNEO-MD methods as modular extensions in open-source software like PySCF, NWChem, and CP2K. These products will...
- This Project Grant award, valued at $340,000.00 and awarded by the National Science Foundation (NSF) under the Mathematical and Physical Sciences Program (CFDA 47.049), supports the development of the next-generation Python Simulations of Chemistry Framework (PySCF) software platform. The goal is to make electronic structure simulations faster, more robust, and more accessible to computational scientists across disciplines such as energy technologies, catalysis, drug discovery, and quantum...
- This $380,000 federal Project Grant award from the National Science Foundation's (NSF) Computer and Information Science and Engineering (CISE) program supports the development of an automated quantum design and implementation toolkit called QUAIM. The goal is to make it easier for domain scientists to leverage the power of quantum computing for complex scientific problems in areas like computational chemistry, materials science, and geophysical monitoring. The key products and services to be...
- This federal Project Grant award, provided by the National Science Foundation's 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 $105,767 award, granted on October 1, 2024, with a completion date of September 30, 2027, focuses on advancing quantum information science and engineering (QISE) workforce...
- 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,...