Carbohydrates are chemically diverse, highly flexible, and strongly hydrated molecules that mediate recognition, assembly, and reactivity throughout biology and materials science. Their dense networks of hydroxyl groups create a delicate balance among intramolecular interactions, solvent organization, conformational change, and binding to proteins or inorganic surfaces.

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The Welborn group develops and evaluates polarizable molecular models for carbohydrates and uses them to study hydration, conformational ensembles, chemical reactions, and molecular recognition. Recent work has characterized the thin, dense hydration layers surrounding monosaccharides, assessed AMOEBA for carbohydrate simulations, identified a three-water pathway for glucose ring opening, and quantified how natural glycans and synthetic inhibitors bind galectin-3. These studies support predictive models of glycan–protein interactions, sugar-mediated cross-linking, and carbohydrate-based materials.