Faculty Sponsor: Brian Stewart
Inesh Vytheswaran
I am a computer science major, pursuing a minor in physics and IDEAS here at Wesleyan. I am from Wellelsy, MA, and currently live in Avon, CT. Going into possibly my final semester, I am super excited to take classes on digital learning, applied linear algebra, and multiple hand drumming classes from around the world! Outside of coursework, I enjoy listening to music, South-Indian classical percussion, running, playing basketball or soccer, and relaxing with friends! I am extremely grateful to be a part of the apprenticeship this summer and had a great time in the molecular collisions laboratory.
Abstract:
The study of molecular collisions is crucial for understanding few-body dynamics in atom-molecule interactions. Our lab’s research focuses on non-reactive collisions between Lithium dimer (Li₂) and Neon (Ne), aiming to measure energy transfer rate coefficients and cross sections on a single excited-state potential surface. Despite existing models, accurately merging quantum mechanical and classical trajectory approaches, especially in rotationally inelastic collisions, remains challenging.
Here, I explore two trajectory programs: T, which uses a computationally efficient algorithm, and CT2, which is slower but can be used for chemically reactive systems. Discrepancies had been noted between the outputs of these two programs in some situations, and my task was to determine the origin of the problem and to fix it. In this poster, I will show how I isolated a bug, which turned out to be a miscalculation in vibrational energy levels, utilizing data visualization techniques.
By solving this bug, our lab now has the capability to accurately simulate reactive collisions which greatly broadens the range our computational experiments. Our over-arching hope is that research enhances the understanding of molecular collisions, provides better models for multi-body interactions, and supports collaborative efforts with other labs. Hope you like it!
Inesh-poster.pptx-1-1