My research focuses on a joint molecular simulation and continuum theoretical platform for elucidating the design-specific effects of 1-10 nm nanoparticles in their interactions with model cellular membranes. We leverage molecular dynamics simulations, free energy calculations, and simple models to delineate the structural states, thermodynamic driving forces, and kinetic pathways of lipid membrane interactions for nanoparticles of diverse size, surface chemistry, shape, softness, and surface roughness and topology. We believe the predictive principles that result from these detailed simulations and adapted theories will be crucial to overcome the present spatiotemporal limitations of experiments and existing theories and guide forthcoming nanoparticle regulations and pharmaceutical and consumer product technologies.
Outside of my research, I enjoy running, biking, hiking, reading about geography or economics at a coffee shop or at the beach, wandering around cities, and spending time with my long-time girlfriend Carla and French Bulldog Butters. I’m a proud Greater Philadelphian and East Coaster.
Tools & Techniques: molecular dynamics simulation (equilibrium and nonequilibrium), coding (Python, FORTRAN, Bash, MATLAB, some C++), high performance computing, free energy calculations & advanced sampling (e.g. umbrella sampling), membrane & peptide biophysics, multiscale modeling, molecular thermodynamics