A computational framework for rational materials design and development.
The intellectual focus of this RIMSE Summer School is on understanding how nanoscale building blocks can be assembled into functional, tunable materials that operate at the meso- to macroscales. Such materials are broadly relevant to energy, environmental sustainability, and human health problems. Led by Professor Tod Pascal, the course provides training on the computational aspects of the self-assembly problem—students will learn how to deploy high-performance computing to build predictive models that capture the chemical and physical complexities of mesoscale materials and the dynamics of their formation. Students will be employ a multiscale theoretical framework to solving these problems, combining first-principles electronic structure calculations, atomistic and coarse-grained (CG) models. The structure and dynamics of these system will be explored by means of molecular dynamics (MD) simulations, while Monte-Carlo (MC) simulations will be used to determine the long-term, thermodynamic behavior. Trainees will learn how to: (1) simulate assembly at atomistic, nanoscopic, and mesostructural scales; and (2) how to predict the properties of the resulting structures.
For questions, please contact mrsec@ucsd.edu
2025 SSPA Participants
Akande, Wisdom
BIO: Akande is a graduate student at NC A&T. He currently conducts research in Professor D. Kumar's group on the synthesis and characterization of transition metal nitrides (TMNs) and oxynitrides for plasmonic applications.
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Mentor: Alex Fuqua / Yu Xie
Coleman, Anansi
BIO: Anansi is a North Carolina A&T State University rising senior, pursuing a double major in Physics and Automotive Engineering Technology, as well as a minor in Electronics Technology. He is generally interested in environmental sustainability, electrodynamics, electrohydrodynamics and related works, and aims to pursue a PhD in Physics upon graduation.
ORCID: 0009-0005-2059-9924
Mentor: Sergio Lopez
Duncan, Isla
BIO: Isla is a rising senior at Francis Parker High School. She is specifically interested in applying math to the materials sciences, and is looking forward to learning how to use computational tools to model nanoscale structures. She is also excited about the environmental and energy implications of nanoparticles. In her free time, Isla enjoys running and playing the harp.
ORCID: 0009-0009-3036-962X
Mentor: Margaret Mullooly
Gupta, Sneha
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Lancaster, Alicia
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Lin, Iris
BIO: Iris is an undergraduate Chemistry student at Binghamton University. She is currently in the First-Year Research Immersion Program, studying platinum alloy catalysts for the hydrogen evolution reaction. Outside of academics, she enjoys reading and scrapbooking.
ORCID: 0009-0002-2066-6080
Mentor: Rajashree Newar
McCarroll, Tierney
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Robinson, Breanna
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Whipkey, Chance
BIO: Chance is an undergraduate student at NCAT’s Physics Department (Class of 2025). He is interested in pursuing a career in research in the field of energy but finds joy in many STEM subjects. His hobbies include ttrpgs and collaborative storytelling.
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Mentor: Lingyuan Lyu
White, Jakobi
BIO: Jakobi is an undergraduate student at North Carolina A&T State University, majoring in Electrical Engineering with a minor in Physics. In his free time, he enjoys bowling, running, and working on personal projects
ORCID: 5678-9324-8649-3455
Mentor: Shalaka Varshney
Zuckerman, Benjamin
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2025 SSPA Mentor Participants
Bi, Liya
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Fuqua, Alex
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Huang, Lucy
BIO: Lucy Huang is a rising senior at Torrey Pines High School returning to RIMSE Summer School for Predictive Assembly in 2025 as a mentor. She is deeply passionate about materials science and engineering, dedicating countless hours to experimenting in the lab and building practical solutions through both software and hardware applications.
ORCID: 0009-0003-7072-6368
Lewis, Erin
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Lopez, Sergio
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Lyu, Lingyuan
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Mullooly, Margaret
BIO: Margaret is an undergraduate student in Computer Science at California State University, Fresno (Class of 2026), with interdisciplinary research interests in simulation and artificial intelligence, and their applications in materials science, drug discovery, and energy storage. She participated in the 2024 Summer School on Predictive Assembly and has continued conducting research under Professor Tod Pascal at the University of California, San Diego, investigating the intermolecular interactions governing nanoparticle systems. She is passionate about creating innovative technological solutions for a healthier world through interdisciplinary research and collaboration. In her free time, she enjoys being in nature.
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Newar, Rajashree
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Nivarty, Tejas
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Ramji, Robert
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Ruan, Xiaoxu
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Varshney, Shalaka
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Xie, Yu
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