The Department of Chemistry invites you to its departmental seminar today, February 2, at 4:10 p.m. in Fulmer Hall, room 438.
Dr. C. Mark Maupin from the Colorado School of Mines will present, Molecular-level Insights through Computations.
Computations from ab initio calculations to kinetic modeling are a powerful scientific tool to supplement, and guide (i.e.,theory driven) experimental research efforts in physics, chemistry, biology, and engineering. The enhanced molecular-level detail provided by computations and simulations enables a unique perspective when evaluating the thermodynamic, kinetic, and mechanistic properties of systems. This presentation will highlight two research topics: 1) Free radical kinetics in fuel biodegradation and 2) Guest diffusion in silicon clathrates. These projects, while addressing national security and energy issues, also illuminate the ability of computations to supplement experimental work (e.g., NMR, TEV), predict outcomes (e.g., energetics, kinetics, and mechanisms), and guide coupled computational and experimental work.
Contact: Chelsea (Pickett) Gao, chelsea.m.pickett@wsu.edu.
