Patrick Reagan

ABOUT THE RESEARCHER

1. Who are you doing research with this summer and what kind of research project are you doing?

I am doing my research project this summer with Dr. Zhiwei Liu as part of her work with Dr. Vojislava Torbica-Pophristic. I do computational chemistry, where I simulate molecular interactions on a computer in an effort to accurately model how systems behave in real experiments. Specifically, I am investigating how long polymer-type chains called foldamers can be used for different applications on the molecular scale, particularly for encapsulating small molecules.

2. What do you find fascinating in the research that you’re doing?

The most fascinating aspect of my research to me is the scale that I am looking at. Computational chemistry (in particular ab initio molecular dynamics) allows me to see how particles interact at the molecular and even atomic level, at a resolution that is impossible in ordinary experimentation. Being able to verify my computer-based predictions with experimental results is very rewarding and makes this whole aspect of chemistry that much more fulfilling.

3. What skills are you learning through the USURF experience?

Working in computational chemistry has given me significant exposure to computer coding languages, which are the primary methods used to run simulations and build structures. While I came into this research group with no prior experience with coding, I have been able to gain some knowledge in how to use a few different languages as well as several different software packages. I am gaining proficiency in navigating Linux-based shell infrastructure, as well as using Amber, SYBYL, GaussView, and other softwares.

4. What are the challenges you’re encountering in your research?

Computational-focused research has the advantage of not requiring physical resources to run experiments, and so there is not so much waste along the way as aspects of a hypothesis are exhaustively tested. However, there is still a lot of trial-and-error involved here, as there is in all fields of research. Often, I will spend days or even weeks investigating some aspect of my project, and the result will be totally negative. My project has required me to exercise considerable patience and attention to detail, as small mistakes gone unnoticed can lead to significant setbacks or wasted time.

5. How is your USURF experience impacting the way you view your field?

USURF has allowed me to take a very close look at an aspect of chemistry that I did not know about previously. Computational chemistry is fundamentally not too different from other disciplines within the chemical field, but the actual work that is done is quite different. I find that it has given me a way to express my passion for chemistry in a way that lines up much more closely with my skills, as opposed to wet chemistry research. Going forward, my experience with USURF and this research project in particular will help to inform me on what career I pursue after I graduate from the University of the Sciences.

6. Tell us something interesting about yourself.

My family has been a home to sick and injured cats since I was a kid. Since I was 12 my home has had anywhere between 12 to 22 cats in it, all of them strays adopted because of various risks to their health. I obviously love cats, although I only have one here with me in Philadelphia.