[Colloquium] Marcus Schwarting MS Presentation/Apr 7, 2023

[Megan Woodward]

This is an announcement of Marcus Schwarting's MS Presentation
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Candidate: Marcus Schwarting

Date: Friday, April 07, 2023

Time: 10 am CST

Location: JCL 390

M.S. Paper Title: Computational Methods Applied to Rotational Spectroscopy

Abstract: Rotational spectroscopy is an incredibly powerful technique for measuring the quantized rotational states of molecules in the range of microwave radiation. While the technique can present a tremendous amount of molecular information that few spectroscopies can emulate, rotational spectroscopy is not commonly utilized by analytical chemists. We assert that the greatest barriers to wider utilization are not experimental; rather, they are computational. We present our ongoing efforts towards the development of RotoCalc Monte Carlo, a method for the inverse mapping of rotational spectra by sampling from a robust forward model. RotoCalc Monte Carlo seeks to derive important spectroscopic quantities from a rotational spectrum without molecule foreknowledge or spectral annotation, thereby building up rotational spectroscopy as a more viable tool for general-purpose analytical chemistry.

Advisors: Ian Foster & Eric Jonas

Committee Members: Ian Foster, Eric Jonas, and Ben Blaiszik




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