Over the course of my career, both academic and in industry, I have published some of my work in peer-reviewed journals. Here is a compiled list of my published work, with some commentary on the articles I feel deserve more discussion.
Location Technology
An Algorithm for Road Closure Detection from Vehicle Probe Data
This was a project I worked on with two colleagues in the Research organization at HERE Technologies to identify road closures from vehicle data.
METHOD, APPARATUS, AND SYSTEM FOR DETECTING ROAD CLOSURES BASED ON PROBE ACTIVITY
This is a patent filing from the same project published above.
Computational Chemistry
Development and assessment of atomistic models for predicting static friction coefficients
Publishing the results of my postdoctoral research.
Theoretical approaches for understanding the interplay between stress and chemical reactivity
A literature review book chapter written during my postdoctoral fellowship with a PhD student in my group on simulation techniques to understand how mechanical stress impacts reactivity.
Dramatic Substituent Effects on the Mechanisms of Nucleophilic Attacks on Se-S Bridges
The result of a short project I completed in the months after defending my PhD thesis with some visiting professors from Barcelona. We studied the impact of various substituents on reactions at selenium-sulfur bonds.
Revealing unexpected mechanisms for nucleophilic attack on S-S and Se-Se bridges
Part of the same project from the paper above.
Mechanism of the Reduction of an Oxidized Glutathione Peroxidase Mimic with Thiols
Part of my main doctoral research, this paper describes simulations of one step of the catalytic cycle I studied for my thesis. I discussed some of the work published here as a blog post many years ago.
Computational Model of the Catalytic Cycle of Organoselenium Antioxidants
My final PhD thesis.
Reaction of Group 16 Analogues of Ethoxyquin with Hydrogen Peroxide, a Computational Study
The published results from a summer of research done by an undergraduate student I mentored during the third year of my graduate studies.
Substituent-Controlled Reactivity in the Nazarov Cyclisation of Allenyl Vinyl Ketones
Probably my favourite paper I’m a part of (shhh… don’t tell my doctoral supervisor), this was the result of a collaboration between me and a synthetic organic chemistry student I was friends with. The paper is mostly about the synthetic chemistry work my friend was doing. She had been seeing some unexpected products in one of the reactions she was doing and did not understand how they were formed, so she asked if I could run some simulations to figure out what was going on. After a couple weeks, we had an understanding of why these products were formed and my work got a section in this paper.
Systematic study of the performance of density functional theory methods for prediction of energies and geometries of organoselenium compounds
An evaluation of a number of different quantum models to determine which performs best with the types of chemicals I studied in my PhD.
Theoretical Investigations on the Reaction of Monosubstituted Tertiary-Benzylamine Selenols with Hydrogen Peroxide
Studies on the first step of the catalytic cycle I focused on for my PhD.
Reduction of Hydrogen Peroxide by Glutathione Peroxidase Mimics: Reaction Mechanism and Energetics
The initial studies on the first step of the catalytic cycle I focused on for my PhD.
Chemistry Education
Maple-Assisted Template for Automatic Calculation of Second Order AA’XX’ NMR Spectra
Fully Integrated Digital Character Tables for Point Group Analysis of the Vibrational Activity of Molecules
Big Bang in the Undergraduate Chemistry Curriculum via Symbolic Computation
These three papers were all work I did with my undergraduate physical chemistry professor and some fellow students. He used Maple (software similar to Matlab or Mathematica) as a core teaching tool in his curriculum and we helped him develop pedagogical tools for teaching various physical chemistry concepts. I had a lot of fun developing these Maple worksheets because after taking multiple computer science courses as electives, this was my first opportunity to apply what I’d learned to real world problems outside of an assignment.