Summer School on Predictive Assembly

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 theoritical 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.

The application period has now closed, please contact Professor Tod Pascal with any questions.

Participants

Alex Fuqua

BIO: Alex Fuqua is an incoming PhD student at UCSD in the Nanoengineering department. He will be in Dr. Andrea Tao's group. He graduated from UCLA with a Bachelor's Degree in Materials Engineering June 2021. He is interested in self assembly of inorganic nanocrystals.
ORCID: 0000-0002-3611-665X
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email: linkander@gmail.com

Vanessa Eng

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Sebastian Marroquin

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Junlin Wu

BIO: Junlin Wu is a Ph.D. student in the Materials Science and Engineering program at UC San Diego. He completed his undergraduate studies at Central South University in China, major in MSE. He finished his first MSE master's degree at Tsinghua University in China, focusing on Zinc Ion Batteries research. Then he came to another MA program in the Chemistry Department at the University of Virginia, focusing on electrocatalysis. At UCSD, he will continue to focus on the research of electrochemistry.
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email: juw039@ucsd.edu

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Keanu Ray Masga

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