How to Model for a Living: The CSGF as a Catalyst for Supermodels

Models are ubiquitous and uniting tools for computational scientists across disciplines. As a computational biophysical chemist, I apply multiple models to understand and predict how molecules recognize and interact with each other in complex, dynamic biological environments. The Department of Energy Computational Science Graduate Fellowship (DOE CSGF) cultivates interest in engaging in models from an multidisciplinary perspective and enables junior scientists to see how computational modeling is a creative and collaborative process. Below, I describe ways, based in part on my own experiences as a CSGF recipient, in which modeling can be used both to understand the molecular world and to excite others about computational science.