Steve Stuart

Steve Stuart is a Professor in the Department of Chemistry within Clemson University's College of Science, maintaining an active research program focused on computational chemistry and materials science. His work bridges molecular simulation methodologies with practical applications in biomaterials, nanotechnology, and energy storage systems.

His research centers on computational methods development for molecular dynamics simulations, with particular emphasis on protein-surface interactions, carbon nanomaterial characterization, and polymer systems. Key interests include force field parameterization for interfacial phenomena, hydrogen storage mechanisms in carbon nanostructures, and accelerated sampling algorithms for complex biomolecular systems. His technical approach combines theoretical modeling with experimental validation to address challenges in surface science and nanoscale material design.

Analysis of his 2014-2024 publications reveals three dominant research trajectories: (1) development of specialized force fields (particularly for CHARMM) enabling accurate simulation of peptide adsorption on polyethylene, PMMA, and silica surfaces; (2) investigation of carbon nanotube and fullerene properties including vibrational modes, welding mechanisms, and hydrogen storage capacity; and (3) creation of advanced sampling techniques like TIGER2A that overcome computational barriers in simulating large biomolecular systems with explicit solvent.

No scientific awards were documented in the source materials. Similarly, details regarding student advising, research grants, laboratory facilities, or collaborative teams were not provided in the available information.