Duc Nguyen is an associate professor of mathematics at the University of Tennessee, Knoxville, where he leads research at the intersection of applied mathematics, molecular bioscience, and data science. His group designs geometric and graph-based machine learning architectures for biomolecular modeling, develops high-order numerical methods for scientific computing, and creates quantitative systems pharmacology models that support drug discovery pipelines.

Nguyen’s contributions span top-ranked performances in the D3R Grand Challenges for computer-aided drug design, collaborations with Pfizer on topology-driven hit identification, and partnerships with Bristol Myers Squibb on cardiac pharmacology modeling. His program is supported by multiple NSF awards, and he mentors a broad team of undergraduate researchers, visiting faculty, postdocs, and PhD students working on AI-driven approaches to molecular sciences.