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
Chan, Titus
BIO: Titus is an undergraduate student at University of California, San Diego. In addition to learning and exploring, he enjoys making and drinking coffee
ORCID: 0009-0005-4700-0942
Mentor: Sergio Lopez
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
BIO: Sneha is an undergraduate student at UC San Diego, majoring in NanoEngineering. She is passionate about materials science and is excited to apply computational tools to conduct research in this field. She recently started in the ATLAS Materials Physics Lab under Professor Tod Pascal, learning to use molecular dynamics (MD) to simulate and analyze polymer systems. Sneha will be participating in MRSEC’s 2025 RIMSE Summer School on Predictive Assembly. In her free time, she enjoys reading epic fantasy, hiking, swimming, skiing, and simply being in nature.
ORCID: 0009-0004-1161-0098
Mentor: Robert Ramji
Lancaster, Alicia
BIO: Alicia is a rising junior at the University of Oregon studying Chemistry, where her research has been focused on investigating the properties of materials contributing to thermal expansion with applications in battery materials. She is excited to continue research in molecular scale chemistry and learn new experimental and computational tools. In her free time, she enjoys baking, bike rides, and hiking in Oregon’s forests.
ORCID: 0009-0005-9563-4827
Mentor: Liya Bi
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
BIO: Tierney McCarroll is a junior at Mount Saint Mary's University majoring in Chemistry and Mathematics(class of 2026). She is a javelin thrower and captain of the track team at her university. She has done previous research with the Hydrogen and Fuel Cell Center group at the University of South Carolina.
ORCID: 0009-0006-9945-3094
Mentor: Xioaxu Ruan
Robinson, Breanna
BIO: Breanna is a Sophomore Physics Engineering major at the illustrious North Carolina Agricultural and Technical State University. She is from Augusta, Georgia, and hobbies include but are not limited to playing tennis, reading, and crocheting. She is excited to apply her Physics to living materials this summer.
ORCID: 0009-0008-4552-3282
Mentor: Tejas Nivarty
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
BIO: Ben is an undergraduate student at Stony Brook University majoring in Biochemistry, and he will likely graduate in Spring 2027. His interests lie in organometallic chemistry because the field has a multitude of applications in synthetic chemistry and catalysis. In his free time, he likes to hang out with his friends whether it be in the dorm or out in the mall.
ORCID: 0009-0004-7769-9486
Mentor: Erin Lewis
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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