Duc Nguyen
Duc Nguyen
Associate Professor
Dr. Nguyen is an expert at the intersection of mathematics, molecular bioscience, and data science. His research focuses on three areas: developing mathematical models for molecular bioscience and biophysics, designing machine learning architectures to enhance learning accuracy, and constructing high-order methods for scientific computing. His work has been supported by three NSF grants, Pfizer, and Bristol-Myers Squibb.
Dr. Nguyen’s significant impact is demonstrated through his success in the D3R Grand Challenges, a prestigious competition in computer-aided drug design (CADD), where his models ranked first in several categories. This notable success led to collaborations with Pfizer for drug hit identification and Bristol-Myers Squibb for developing pharmacological models.
Dr. Nguyen has advised nine undergraduate students, two visiting professors, five Ph.D. students, and one postdoc on the mathematical modeling of biomolecular systems. Recognized among the top 2% of the world’s most-cited researchers, his contributions advance scientific understanding and innovation, specializing in Math and AI-driven drug discovery.
Education
Ph.D., University of Alabama
Research
- Machine Learning
- Artificial Intelligence
- Topological Data Analysis
- Differential Geometry
- Graph Theory
- Drug Discovery
- Mathematical Biology
- Quantitative Systems Pharmacology
- Numerical Methods for PDEs
Grants
- NSF DMS-2245903: DMS/NIGMS 1: Data-driven Ricci curvatures and spectral graph for machine learning and adaptive virtual screening
- NSF DMS-2151802: Robust and reliable mathematical models for biomolecular data via differential geometry and graph theory
- NSF DMS-2053284: Collaborative Research: Integrating Algebraic Topology, Graph Theory, and Multiscale Analysis for Learning Complex and Diverse Datasets
- Michigan Economic Development Corp: MAID2: Mathematical Artificial Intelligence for Drug Discovery
- Pfizer: Topology and manifold based machine learning for de novo hit identification
- Bristol Myers Squibb: Quantitative systems pharmacological modeling of drug impact to heart failure