Peer-reviewed work from my time as a computational physical chemist at Texas Tech University (Poirier group) and beyond. My research focused on exact quantum dynamical calculations of rovibrational spectra using massively parallel computing — the ScalIT framework was the common thread across most of it.
Papers
| Year | Title | Journal |
|---|---|---|
| 2019 | Exact Bound Rovibrational Spectra of the Neon Tetramer | Journal of Chemical Physics |
| 2018 | Accurate Rovibrational Energies of Ozone Isotopologues up to J = 10 Utilizing Artificial Neural Networks | Journal of Chemical Physics |
| 2017 | Thermochemical and Kinetics of CH3SH + H Reactions | Journal of Physical Chemistry A |
| 2014 | Using ScalIT for Accurate Rovibrational Spectroscopy Calculations: A Practical Guide | Applied Mathematics |
| 2014 | Comparison of J-Shifting Models for Rovibrational Spectra as Applied to the HO2 Molecule | Chemical Physics Letters |
| 2013 | Quantum Dynamical Calculation of Bound Rovibrational States of HO2 up to J ≤ 130 | Journal of Physical Chemistry A |
Dissertation
PhD Dissertation — Exact Quantum Dynamical Calculations of Rovibrational Spectra Using Massively Parallel Computers
Texas Tech University, ~2014 — Advisor: Bill Poirier