TheRappeGroup

2008-2013 Bachelor of Science in Chemistry, Drexel University
2013-present Ph.D. Chemistry, University of Pennsylvania

My main research focus is the application of electronic structure methods and classical molecular dynamics simulations to enhance atomistic understanding and enable prediction of materials properties thereby guiding the systematic improvement of their performance. Previously, I have studied the reconstruction behavior and catalytic activity of nickel phosphides. My research interests are three-fold:

1. Development of accurate interatomic potentials for molecular dynamics simulations to predict surface reconstruction
2. Multiscale modeling for the simulation of electrocatalysis under realistic conditions
3. Application of machine learning for first principles, high throughput computational materials design

Favorate quotes: "If you can fill the unforgiving minute With sixty seconds' worth of distance run, Yours is the Earth and everything that's in it, And -which is more- you'll be a Man, my son!" -If by Rudyard Kipling
Favorate music: Billy Joel, Elton John, Ben Folds, Jason Mraz, The Darkness
Favorate hobbies: Music recording and production, running, tennis, golf, cooking