Research Opportunity Number: CBE-06

Project Title: Multiscale Simulation and Machine Learning of Materials

Project Summary: The Chemical and Biological Engineering group is interested in supporting two student interns for projects which will be tailored upon evaluation and discussion but are likely to be situated in the areas noted below. 

Project 1: Smart Polymers and Predictive Modeling

Polymers, large molecules made up of repeating chemical units, are essential materials in countless applications, from clothing to medical devices. Some polymers are “smart” because they can respond to environmental changes like temperature, pH, or stress, making them ideal for adaptive uses in fields such as drug delivery, diagnostics, and advanced coatings. In this project, students will help develop computational tools to predict how polymers react to various stimuli. Using molecular modeling techniques and machine learning algorithms, they will explore how chemical structure affects polymer behavior. 

Project 2: Designing Self-Replicating Materials

Imagine materials that can repair themselves, like how human skin heals or muscles strengthen after exercise. This project focuses on creating entirely new types of self-replicating materials using non-biological chemical components. Using computational techniques, students will explore sequence-specific hybridization, a process similar to how DNA pairs during replication, but with innovative chemical bonding systems called TORC pairs. By applying computational modeling and machine learning and coordinating with experimentalists, participants will help our research team design and optimize these chemical replicators, investigating how different chemical structures influence their ability to replicate. 

Student Roles and Responsibilities: Interested students should have strong foundations in math, physics, and chemistry and a major interest in computational research. Prior experience with programming—particularly in Python—and familiarity with shell scripting and using a terminal environment are highly desired.

Successful candidates will be eager to learn, self-motivated, and capable of working independently. They will be expected to maintain timely progress on assigned tasks, regularly report updates, and actively participate in collaborative team meetings. 

Interns will gain valuable exposure to a real research environment, including hands-on experience with advanced computational tools and methods. They will also develop problem-solving skills, learn to interpret scientific data, and contribute to ongoing efforts in cutting-edge materials research. It is desired to have students commit to at least 8 weeks and preferably more with a start date in mid-to-late June.

Additional Considerations: This project will last eight or more weeks.

Department/Institute: Chemical and Biological Engineering

Participation Dates: June 16 – August 22, 2025

Stipend Offered: $250 (Weekly)

Number of Internships Available: 0-2

Application Deadline: March 15, 2025, midnight Eastern Daylight Time