Guo-Wei Wei
Professor and GRA Eminent Scholar
Mathematics; Biochemistry & Molecular Biology
University of Georgia, 424 Cedar Street Building D, Athens, GA 30602, USA
Contact: guowei.wei[at]uga[dot]edu
Appointments and Affiliations
- Aug 2026 - Present
Professor and GRA Eminent Scholar
University of Georgia, Athens, GA
- Department of Mathematics
- Department of Biochemistry & Molecular Biology
- 2002 - 2026
MSU Research Foundation Distinguished Professor
Michigan State University, East Lansing, MI
- Department of Mathematics
- Department of Biochemistry and Molecular Biology
Research Interests
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Mathematical Foundations of AI and Data Science
- Topology, geometry, and algebra: Mathematical representations of data; topological data analysis; topological deep learning; combinatorial commutative algebra; topological learning; evolutionary de Rham-Hodge theory; persistent spectral graph; persistent Laplacian; homotopy continuation; unified topological approach; persistent sheaf Laplacians; path methods; persistent hyperdigraph methods; Mayer methods; persistent Dirac methods; persistent commutative algebra.
- Machine learning: Generative network complex; graph neural networks; multiscale manifold regularization; machine learning; multitask learning; autoencoders; transformers; UMAP-assisted K-means clustering; dimensionality reduction; CCP dimension reduction; interaction topology; persistent Jones polynomial; persistent Khovanov homology; Topo2seqTransformer.
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Mathematical Foundations of Biosciences
- Biomolecular modeling: Differential geometry-based solvation models; geometric algebra-based docking; persistent topology of biomolecules; variational multiscale models for ion channel transport; DFT of proton transport; curvature-based biomolecular surfaces; multiscale virus capsid modeling; geometric modeling of protein complexes.
- Protein and genomic systems: Mechanoelectrical transducers; flexibility-rigidity index (FRI) for proteins; stochastic B-factor prediction; electrostatic binding analysis; Reeb graph-based protein pocket detection; genomic data; Cahn-Hilliard for mitochondria; geometric algebra for protein modeling; geometric topology modeling; Mayer topology modeling; topological phylogenetics.
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Drug Discovery, Bioinformatics, and Quantitative Systems Pharmacology
- Molecular prediction: Protein-ligand binding affinity; pose prediction; MathDL; virtual screening; partition coefficient; solubility; toxicity; scoring, ranking, docking, and screening.
- Mutation and drug design: Protein folding stability changes upon mutation; protein-protein binding affinity; genotyping; automated generation of drug-like molecules; proteome-informed AI for drug adduction; deep mutational scanning; multiscale transformers.
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Mathematical Virology and Biomedical Engineering
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Numerical Methods, Materials, and Dynamical Systems
- Wavelet local spectral methods and applications: Matched interface and boundary (MIB) methods; multidomain interface problems; computational electromagnetics; computational fluid dynamics; Richtmyer-Meshkov instability; structural stability analysis.
- Physics and dynamics: Nano-electronic devices; nanofluidic systems; quantum Boltzmann theory; transport theory; reaction rate theory; controlling chaos; controlling turbulence; controlling pattern formation.
Journal Editorship
- Executive Editor, Journal of Chemical Information and Modeling.
- Advisory Editor, Journal of Computational Biophysics and Chemistry.
- Associate Editor, SIAM Journal on Life Sciences (SIALS).
- Advisory Editor, Engineering Reports.
- Honorary Editor, International Journal of Engineering and Applied Sciences.
- Advisory Editorial Board, Chemical Physics Letters.
- Editorial Board, International Journal of Modern Nonlinear Theory and Application.
- Editorial Board, International Journal of Biomedical Imaging.
- Editorial Board, MDPI/Mathematical Biology.
- Editorial Board, Artificial Intelligence Chemistry.
- Editor, Data Analytics and Topology.
- Editorial Board, Mathematics of Data, Learning, and Intelligence.
- Founding Editor-in-Chief, Computational and Mathematical Biophysics, 2011-2025.