REU: Research Experience in Multiscale Modeling of Matter Embracing Disciplines in Engineering and Sciences

Non-technical Summary In this REU program entitled “Research Experience in Multiscale Modeling of Matter Embracing Disciplines in Engineering and Sciences”, ten undergraduate students will work with faculty mentors across campus at Auburn University on computational studies of materials and molecules. Many modern technologies, from energy systems to additive manufacturing and medicine, rely on understanding how matter behaves at different size scales. This project will introduce students to methods that explore these behaviors, from the motion of individual atoms to the performance of complex materials at macroscopic scales. Through collaborative research, group discussions, seminars, and professional development activities, the program will prepare participants for future careers in science, technology, engineering, and mathematics (STEM). The project will place special emphasis on recruiting students from institutions with limited access to research opportunities or high-performance computing resources. This REU will support the national interest by providing interdisciplinary training in collaborative research and developing a skilled STEM workforce. Technical Summary This REU project entitled “Research Experience in Multiscale Modeling of Matter Embracing Disciplines in Engineering and Sciences” will engage ten undergraduate participants in computational research focused on multiscale modeling of materials and molecules. The scientific goal of the program is to explore systems in which physical behavior emerges across distinct length and time scales, requiring the integration of methods such as electronic-structure theory, atomistic and molecular simulations, continuum modeling, and data-driven approaches, including machine learning. Student teams will address common scientific questions while working at different scales, allowing them to compare computational strategies, assess the accuracy of different modeling techniques, and understand the advantages and limitations of each method. Research problems may involve structural, mechanical, electronic, or transport properties of materials, as well as molecular interactions relevant to chemical and biological systems. For ten weeks, participants will develop skills in scientific programming, workflows for high-performance computing, and best practices for analyzing and validating simulation results. They will also receive training through seminars, group meetings, and workshops designed to strengthen communication, teamwork, and professional preparation. By combining independent research with coordinated multiscale investigations, the project will provide students with a broad perspective on modern computational materials sciences and equip them with knowledge that is essential for emerging research areas driven by advanced modeling and data science techniques. This award reflects NSF's statutory mission and has been deemed worthy of support through evaluation using the Foundation's intellectual merit and broader impacts review criteria. NSF Award ID: 2548283 | Program: 01002627DB NSF RESEARCH & RELATED ACTIVIT | Principal Investigator: Marcelo Kuroda | Institution: Auburn University, AUBURN, AL | Award Amount: $464,905 View on NSF Award Search: https://www.nsf.gov/awardsearch/show-award/?AWD_ID=2548283 View on Research.gov: https://www.research.gov/awardapi-service/v1/awards/2548283.html