Project Grant 2143725
- Southern Methodist University was awarded a three-year Project Grant of $498,007 by the National Science Foundation Division of Chemistry from August 1, 2021 to July 31, 2024. The grant supports research titled "The Local Mode Analysis - Decoding Chemical Information from Vibrational Spectroscopy Data" under the Mathematical and Physical Sciences program (CFDA 47.049). The grant aims to advance understanding of major scientific problems through progress in mathematical and physical...
- Southern Methodist University was awarded a $109,999 Project Grant from the National Science Foundation Division of Mathematical Sciences on September 1, 2021 for the project "COLLABORATIVE RESEARCH: COMPUTATIONAL TOOLS FOR BIOMOLECULAR ELECTROSTATICS." The grant is being used to develop computational tools to model electrostatics in biomolecules through August 31, 2024. The grant falls under the NSF's Mathematical and Physical Sciences program (CFDA 47.049), which aims to advance...
- Southern Methodist University (SMU) was awarded a three-year, $390,000 Project Grant from the National Science Foundation Division of Mathematical Sciences under the Mathematical and Physical Sciences federal grant program (CFDA 47.049). Through this award, SMU will develop efficient numerical algorithms to simulate wave equations for nonlinear and multiscale problems. Specific activities include improving discretization methods for general second-order hyperbolic systems, constructing effective...
- Southern Methodist University was awarded a $348,805 Project Grant from the National Science Foundation Division of Mathematical Sciences under the Mathematical and Physical Sciences program (CFDA 47.049) to develop machine learning technology with deep neural networks to study oscillatory Navier-Stokes flows, nonlinear operators, and high dimensional Fokker-Planck equations. The university will research and develop multiscale deep neural network algorithms as a meshless method for solving...
- Southern Methodist University will receive $343,225 under a two-year Project Grant from the National Science Foundation's Computer and Information Science and Engineering program (CFDA 47.070) to conduct research titled "Collaborative Research: Magnetically-Controlled Modules with Reconfigurable Self-Assembly and Disassembly" from January 2022 through December 2024. The grant will support the development of magnetically-controlled modules that can autonomously and reversibly assemble...
- The National Science Foundation (NSF) Division of Chemistry awarded a $510,000 Project Grant under the Mathematical and Physical Sciences (CFDA 47.049) program to the University of Missouri System, doing business as Curators of the University of Missouri, to develop techniques for computing molecular properties using multicomponent methods that incorporate nuclear quantum effects. The award will enable the research team, led by Dr. Kurt Brorsen, to extend the applicability of multicomponent...
- The National Science Foundation (NSF), through its Mathematical and Physical Sciences (CFDA 47.049) program, awarded a $301,463 project grant to the University of Missouri System's Missouri University of Science & Technology. The grant supports computational chemistry research conducted by Professor Greg Tschumper's group to study non-covalent molecular interactions and their applications for organic semiconductor devices. The project will employ high-accuracy quantum mechanics-based methods...
- This three-year $484,620 Project Grant from the National Science Foundation's Division of Chemistry, under the Mathematical and Physical Sciences program (CFDA 47.049), supports the development of quantum chemical methods to study photon and electron driven processes at Temple University. Professor Spiridoula Matsika and her research group will develop efficient and accurate computational tools to describe chemical reactions and phenomena initiated by light or electrons, with a focus on...
- This Project Grant award from the National Science Foundation's Mathematical and Physical Sciences program provides $275,247 to Michigan State University (MSU) to develop high-accuracy computational chemistry methods for modeling the electronic structure of novel quantum materials. The project, led by Dr. James Shepherd, aims to advance theoretical understanding of electron interactions in solids and enable more accurate computational design of new materials, such as catalysts and...
- This National Science Foundation project grant of $1.6 million supports computational chemistry research at the University of California, Los Angeles from August 2022 to July 2025 under the Mathematical and Physical Sciences federal grant program (CFDA 47.049). Professor K.N. Houk and colleagues will develop new computational methods to understand organic reaction rates, mechanisms, and selectivity through quantum mechanics and molecular dynamics simulations. They will also perform computational...
Southern Methodist University will receive $650,000 under a Project Grant from the National Science Foundation Division of Chemistry's Mathematical and Physical Sciences program (CFDA 47.049) to advance complex quantum chemical coupled cluster methods. Professor Devin Matthews and his research group will develop reduced-scaling approximations of CCSDT and CCSDT(Q) methods, along with analytic gradients, to enable highly accurate coupled cluster calculations on larger molecules. They will implement optimal working equations using graph-based and knowledge-based techniques, along with automated code generation targeting high-performance computing architectures. This will create a new computational thermochemistry protocol to study substituted Criegee intermediates and oxygenated fuel combustion at the 1 kJ/mol accuracy level. Professor Matthews will also incorporate computational chemistry into undergraduate curricula and directly involve students from diverse backgrounds in research to broaden participation in the field. The five-year award period begins February 1, 2022.
Mod # | Description | ReasonForModification | Federal Obligation | Date |
|---|---|---|---|---|
| Not listed | $650.0k | 2/1/22 |