Will R. Borrelli

Will R. Borrelli

I'm Will, a 5th year PhD candidate in Theoretical and Computational Chemistry at UCLA. My research expertise focuses on molecular dynamics simulation, statistical mechanics, thermodynamics, and data-science.

Research Highlights

Data Science and Machine Learning: Neural network interatomic potentials for fast and accurate molecular dynamics simulations.
Theoretical Spectroscopy Calculation: 2-dimensional electronic spectroscopy calculated from molecular dynamics simulations.
Molecular Dynamics Simulation: Ab initio reaction dynamics with explicit solvent.
Statistical Mechanics and Thermodynamics: Alchemical simulation for free energy methods.