Area of research
Computational Theory and Mathematics · Atomic and Molecular Physics, and Optics
Research interest
Research focused on Severe acute respiratory syndrome coronavirus 2 (SARS-CoV-2) and Virtual screening, with related work in Spike (software development), Dynamics (music), Coronavirus disease 2019 (COVID-19). Notable publications include 'Artificial intelligence–enabled virtual screening of ultra-large chemical libraries with deep docking', 'AI-driven multiscale simulations illuminate mechanisms of SARS-CoV-2 spike dynamics', and '#COVIDisAirborne: AI-enabled multiscale computational microscopy of delta SARS-CoV-2 in a respiratory aerosol'.