William Harris (Wil)
Currently - PhD student. Massachuasetts Institute of Technology. Cambridge, MA
2016 - B.S. Chemical Engineering. North Carolina State University. Raleigh, NC
2016 - B.S. Physics. North Carolina State University. Raleigh, NC
My research focuses on using message passing neural networks for molecular property prediction. Specific applications include utilizing (and improving) MPNN frameworks for protein-ligand binding in the area of drug discovery, prediction of excited state energies for the inverse design of OLEDs, and generation of classical MD force fields with quantum chemical accuracy. The long-term goal is to generalize and extend machine learning on graphs and to develop improved approaches for decoding graphs (molecules) with desired target properties.