Analyzing the results of a trained model.

Author: Sage Paschall | Major: Chemical Engineering, Physics | Semester: Spring 2025

My name is Sage Paschall, and I am a sophomore Chemical Engineering and Physics major. I received the Honors College Research grant for my work with Dr. Jacob Monroe in the department of Chemical Engineering for the Spring 2025 and Fall 2026 semesters.

I started working with Dr. Monroe in the Summer of 2024, and in the Fall, I applied for the Honors College Research grant. The project is all about increasing the efficiency and viability of molecular simulations of complex systems using machine learning tools. Molecular simulations are an invaluable tool that allows us to gain insight into atomic-level interactions, but they are often very time-consuming. By using machine learning tools, we can increase the computational efficiency while preserving as much detail as possible and staying consistent with known thermodynamic properties. Currently, the project focuses on modeling diphenylalanine, a fairly simplistic dipeptide that displays interesting self-assembly characteristics. However, once viable procedures are developed for diphenylalanine, we hope to apply similar methods to model more complicated systems.

Finding the right mentor and project was as simple as reaching out. It seems scary and intimidating to cold email a professor, but it shouldn’t be! I have found that any professor is excited to tell you about their work, especially if you express a genuine interest. I would also stress exploring your options. Dr. Monroe was not the only professor I spoke with before deciding what was the best project for me, and I would encourage everyone to do the same. You can learn a lot about a professor’s research and expertise by their publications, but the best way to know what your role in that will look like is to speak with them face-to-face.

My role in the project has mostly been on the side of data analysis. When one of our machine learning models performs poorly, for example, it is my role to describe exactly how and maybe why it is performing poorly. The one underlying lesson I have learned about research along the way is that research is hard! And, not only is it hard, it requires a wholly different style of thinking than the typical course assignment. There is hardly ever one right answer or one right way to think about an issue. The amount of details involved in a project can be greatly overwhelming, and I have learned that it is impossible to understand everything the first time through. It takes time and immersion in a topic for a more complete understanding to come. Asking questions and being actively inquisitive about your work is also key. It is hard for me to express how helpful Dr. Monroe and the other lab members have been in answering my questions. I absolutely would not have been able to accomplish anything without their help.

In the coming semesters, we will continue to refine our process, and we will begin to present our work. The national and regional conferences for the American Institute of Chemical Engineers (AIChE) take place this Fall and Spring, respectively. If all goes well, I hope to present my contributions at both.