Project Grant 2513657
- This $244,955 Project Grant awarded by the National Science Foundation (NSF), under the Mathematical and Physical Sciences program (CFDA 47.049), supports theoretical and computational research to develop advanced computational tools and use them for describing the dynamical behavior of magnetic molecules connected to external electrodes and manipulated by magnetic fields. The research aims to provide a balance between computational efficiency and physical accuracy in simulating such open...
- 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...
- The National Science Foundation (NSF) has awarded a $600,000 Project Grant under the Mathematical and Physical Sciences (CFDA 47.049) program to the University of Washington (UW) for the development of advanced computational methods to simulate and understand quantum phenomena driven by magnetic fields. The 3-year project, led by Dr. Xiaosong Li, aims to establish a rigorous first-principles framework for modeling time-resolved magnetic circular dichroism (MCD) spectroscopy. This will involve...
- This $1,500,000 Project Grant award from the National Science Foundation's (NSF) Mathematical and Physical Sciences program (CFDA 47.049) enables the development of MATCSSI 2.0, a cloud-integrated platform to streamline complex many-body calculations for materials modeling and design. By combining user-friendly tools, interoperable software, and interactive learning resources, this project aims to lower barriers to accessing advanced computational methods for predicting material properties...
- This Project Grant award from the National Science Foundation's (NSF) Mathematical and Physical Sciences program (CFDA 47.049) supports theoretical and computational research to enhance the accuracy and efficiency of first-principles quantum mechanical simulations for understanding the electronic structure of materials. The $232,250 award to The Research Foundation for The State University of New York, operating as Stony Brook University, aims to develop innovative approximations to the exact...
- This $150,000 project grant from the National Science Foundation's Office of Advanced Cyberinfrastructure, under the Computer and Information Science and Engineering program (CFDA 47.070), will support the development of GPU-accelerated first-principles simulation techniques to model exciton dynamics in complex materials systems over three years. Led by the University of Illinois at Urbana-Champaign, the collaborative research effort will implement novel methods for describing quantum-mechanical...
- This $282,000 Project Grant awarded by the National Science Foundation's Mathematical and Physical Sciences program (CFDA 47.049) supports theoretical research and educational activities to advance the understanding of topological materials. The funding will be used by the University of Illinois to: Develop new mathematical frameworks for describing the connection between symmetry and topology in solid materials, with the goal of discovering new topological materials. Additionally, the project...
- The National Science Foundation (NSF) Division of Materials Research awarded a $346,461 project grant to North Carolina State University (NC State) under the Mathematical and Physical Sciences program (CFDA 47.049). The grant supports research and education aimed at advancing simulation and computational approaches for studying the atomic and electronic structures of materials. Key focus areas include: Expanding the ability of quantum Monte Carlo (QMC) many-body wave function methods to describe...
- This $340,000 project grant awarded by the National Science Foundation's (NSF) Mathematical and Physical Sciences (CFDA 47.049) program supports theoretical and computational research to achieve a fundamental understanding of the electronic and transport properties of condensed matter systems. The University of Massachusetts (UMass), through its Office of Grant & Contract Administration, will employ advanced analytical methods like the worm algorithm and diagrammatic Monte Carlo to study...
- Through a $249,132 Project Grant award from the National Science Foundation (NSF) Directorate for Mathematical and Physical Sciences (CFDA 47.049), the University of Missouri System, Missouri University of Science & Technology campus, is conducting research to discover and characterize new families of magnetic Weyl semimetals. The project aims to unlock the key ingredients necessary for the design and discovery of these novel quantum materials, which have potential applications in areas like...
The National Science Foundation (NSF) awarded a $700,000 Project Grant under the Mathematical and Physical Sciences program (CFDA 47.049) to the University of Illinois to develop an open-source computational platform for studying the magnetic and electronic properties of strongly correlated materials (SCMs). The project aims to incorporate dynamic fluctuation effects into first-principles simulation methods in order to accurately model complex magnetic phenomena in SCMs, which are critical for emerging technologies like quantum computing, spintronics, and magnetic storage. The software framework will integrate density functional theory, DFT+U, and dynamical mean field theory calculations to enable high-fidelity simulations of magnetic ground states, exchange interactions, spin excitations, and temperature-dependent magnetic transitions. The project will also facilitate inclusive education and training through virtual workshops and REU programs, supporting national efforts in technology innovation and advancing scientific knowledge in computational materials research.
Mod # | Description | ReasonForModification | Federal Obligation | Date |
|---|---|---|---|---|
| Not listed | $70.0k | 8/15/25 |