Dimitri Kilin

Dr. Dimitri Kilin is a Professor in the Department of Chemistry and Biochemistry at North Dakota State University (NDSU). His research focuses on developing first-principles molecular dynamics approaches to study laser-driven chemical reactions and light-induced processes in nanostructures, with applications in energy conversion and optoelectronic materials. He holds a Ph.D. from Chemnitz University of Technology (Germany) and completed postdoctoral research at the University of Oregon, University of Washington, and University of Florida.

His research group investigates photocatalytic mechanisms, photopolymerization, and photodesorption processes in materials like silicon nanocrystals and carbon nanotubes. They collaborate on modeling charge transfer dynamics in nanostructured surfaces and interfaces, critical for solar energy applications. Key projects include designing efficient photovoltaic materials and understanding exciton relaxation in 2D perovskites.

Dr. Kilin has received an NSF CAREER Award and contributes to interdisciplinary collaborations. His work bridges computational chemistry, materials science, and nanotechnology, with applications in sustainable energy and nanomaterials engineering. His lab emphasizes machine learning acceleration for material design and interpretable simulations of complex photochemical reactions.

Publications and grants highlight his focus on photoluminescence in nanocrystals, polaron dynamics in perovskites, and defect engineering in semiconductors. He collaborates with experimentalists to validate computational predictions, aiming to advance practical energy conversion technologies.