# NSF MPS/DMS-EPSRC: A novel theory-based framework for coarse-graining and simulating stochastic differential equations for crystalline materials

> **NSF 01002526DB NSF RESEARCH & RELATED ACTIVIT** · University of North Carolina at Charlotte (NC) · $270,000

## Abstract

Computer simulations have revolutionized materials discovery, allowing scientists to test thousands of possibilities digitally before conducting expensive laboratory experiments, which accelerates innovation while dramatically reducing costs. There are critical national challenges that require advanced materials that perform under extreme conditions. Examples include next-generation computer chips essential for AI and quantum computing, and nuclear energy infrastructure materials that can withstand extreme radiation and heat in reactors. This project develops new mathematical tools and simulation methods enabling more efficient, accurate, and reliable materials modeling, accelerating breakthroughs in national nanotechnologies, clean energy systems, and resilient infrastructure. In addition, the project strengthens the U.S. scientific workforce by training students in advanced mathematical techniques that span multiple disciplines. Through international collaboration with the University of Warwick in the UK, both graduate and undergraduate students will engage in hands-on research experiences, inspiring them to pursue careers in science, technology, engineering, and mathematics. Overall, this project bridges mathematics, engineering, and computing to address real-world challenges in designing advanced materials, while supporting federal priorities in technological leadership, energy security, infrastructure resilience, and fostering the next generation's STEM talent pipeline.

## Key facts

- **NSF award ID:** 2513795
- **Awardee organization:** University of North Carolina at Charlotte (NC)
- **SAM.gov UEI:** JB33DT84JNA5
- **PI:** Xingjie Li
- **Primary program:** 01002526DB NSF RESEARCH & RELATED ACTIVIT
- **All programs:** UNITED KINGDOM, COMPUTATIONAL SCIENCE & ENGING, International Partnerships
- **Estimated total:** $270,000
- **Funds obligated:** $270,000
- **Transaction type:** Standard Grant
- **Period:** 09/01/2025 → 08/31/2028

## Primary source

NSF Award Search: https://www.nsf.gov/awardsearch/showAward?AWD_ID=2513795

## Citation

> US National Science Foundation, Award 2513795, NSF MPS/DMS-EPSRC: A novel theory-based framework for coarse-graining and simulating stochastic differential equations for crystalline materials. Retrieved via AI Analytics 2026-06-07 from https://api.ai-analytics.org/grant/nsf/2513795. Licensed CC0.

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