William Adams Email and Phone Number

I serve as a laboratory teaching assistant for organic chemistry laboratory sections, as well as aiding in laboratory preparation for general chemistry sections.

Developed two labs for use within the undergraduate physical chemistry curriculum at Albright College. Project titles:* “Development of a New Paradigm for Understanding Vibrational Spectroscopy” (DOI: 10.1021/acs.jchemed.8b00135)* “Computational Methods for Predicting Directing Effects in Electrophilic Aromatic Substitution”

Choosing the most appropriate computational method relies on benchmarking against “gold-standard” data-sets. This is also true for the development of new parameters in computational models. Several data-sets exist in the literature, focusing on intermolecular interaction energies, but there is currently no automated way to utilize these results in model building or comparisons. My project will result in a Python module that enables chemists to test a particular level of theory against benchmark values in a fully automated way and automates the optimization of dispersion correction parameters for levels of theory not previously considered. The final product of this project will be designed with open-source data in mind, with the results made fully available to reduce unnecessarily repeated calculations.