Project Grant 2503294
- This Project Grant award from the National Science Foundation's (NSF) Mathematical and Physical Sciences program, CFDA 47.049, supports theoretical and computational research and education to enhance the accuracy and efficiency of first-principles quantum mechanical simulations for studying the electronic structure of materials. The $220,991 award aims to develop innovative machine learning-based approximations to the exact functional within density functional theory, which is critical for...
- This Project Grant award, totaling $388,397, was provided by the National Science Foundation's (NSF) Mathematical and Physical Sciences (CFDA 47.049) program to the University of California, Irvine. The funding supports theoretical and computational research and education to advance the understanding of strongly correlated materials, such as high-temperature superconducting cuprates. Key focus areas include studying stripe order, pairing, and pseudogap behavior in cuprate models using density...
- This $625,840 Project Grant was awarded by the National Science Foundation (NSF) under the Computer and Information Science and Engineering (CISE) federal grant program (CFDA 47.070) on June 15, 2025. The grant supports research to develop provably correct implementations of density functional theory (DFT) approximations, which are widely used in scientific computing applications like solid state physics, computational chemistry, and materials science. The key objectives are to: 1) automatically...
- The University of California Irvine will use this $640,000 Project Grant award from the National Science Foundation to conduct computational studies of frustrated and doped systems from September 1, 2021 through August 31, 2024. The grant was awarded under the NSF's Mathematical and Physical Sciences program (CFDA 47.049), which supports research aimed at increasing understanding of major problems in these fields. Specifically, the university will leverage density matrix renormalization group...
- The National Science Foundation (NSF) awarded a $750,000 Project Grant under the Mathematical and Physical Sciences program (CFDA 47.049) to Tulane University researchers Adrienn Ruzsinszky, John P. Perdew, and Jianwei Sun. The grant supports the development of more accurate and computationally feasible density functional approximations on the higher rungs of the hierarchy of density functional theory. This research aims to improve the accuracy of electronic structure calculations for...
- The University of California Irvine was awarded a $389,999 Project Grant from the National Science Foundation Division of Mathematical Sciences under the Mathematical and Physical Sciences federal grant program (CFDA 47.049). The grant will support research into computational methods for learning and generating stochastic particle representations of mathematical models in physics and biology. Specifically, the university will develop a new class of computational tools integrating particle...
- The National Science Foundation (NSF) Division of Chemistry awarded a $530,000 Project Grant to the University of California, Berkeley under the Mathematical and Physical Sciences program (CFDA 47.049) to develop new computer simulation models for studying light-driven chemical processes. The three-year grant, effective September 1, 2023, will enable the Neuscamman research group to create advanced tools for accurately simulating the movement of electrons and molecules in response to light...
- The National Science Foundation (NSF) awarded a $249,950 Project Grant under the Mathematical and Physical Sciences (CFDA 47.049) program to Professor William C. Pfalzgraff and Chatham University. The funding supports the development of computational methods to accelerate the calculation of molecular properties from computer simulations, which are essential tools in modern chemistry. The project aims to create formally exact generalized master equation (GME) approaches that can efficiently...
- The National Science Foundation awarded a $528,000 Project Grant under the Mathematical and Physical Sciences program (CFDA 47.049) to the University of California Irvine for the period of September 1, 2021 through August 31, 2024. The grant will support research to unravel the principles of catalytic diversity in the carotenoid oxygenase superfamily. Specifically, funds will be used for supplies to conduct variable temperature, variable field magnetic circular dichroism, resonance Raman, and...
- The National Science Foundation awarded a $566,385 Project Grant to the University of California Irvine under the Mathematical and Physical Sciences program (CFDA 47.049). The grant will fund collaborative research on non-perturbative analysis for multi-dimensional quasiperiodic systems from July 1, 2021 to June 30, 2024. The Mathematical and Physical Sciences program aims to advance scientific knowledge and understanding in core areas of mathematics and physics. This award will support research...
This $520,348 Project Grant award from the National Science Foundation's (NSF) Mathematical and Physical Sciences program (CFDA 47.049) supports the development, implementation, and application of a new approach to strong electron correlation based on Natural Determinant Functional Theory (NDFT). The principal investigator, Filipp Furche of the University of California, Irvine (UCI), will advance NDFT to address limitations of existing methodology for modeling strong electron correlation, which is critical for areas such as organometallic chemistry, quantum materials, and molecular magnets. The research will produce new computational methods that will be disseminated through proprietary and open-source software. The project will also support undergraduate curriculum development and high school student outreach at UCI. The award period runs from August 1, 2025 to July 31, 2028.
Mod # | Description | ReasonForModification | Federal Obligation | Date |
|---|---|---|---|---|
| Not listed | $520.3k | 7/16/25 |