Dr. Manny Curotto, professor and chair of Chemistry and Physics, and students Gabrielle DiEmma ’19 and Shane Kalette ’19 had their paper, “Classical and quantum simulations of a lithium ion solvated by a mixed Stockmayer cluster,” accepted for publication in Chemical Physics Letters and OA Mirrors.

“To better understand the finite physical properties of a small cluster of molecules, we ran computational simulations to determine the most favorable structure at a range of temperatures using modern physics theories,” said DiEmma. “This research has potential applications for the energy storage business and future research with lithium ion batteries.”

Additionally, Dr. Curotto and Matthew Heyers ’17, Dominic Bierwish ’18, and Alex Fodor ’18 had their research manuscript, “Re-weighted random series path integral simulations of molecular clusters: Applications to lithium solvated by a mixed Stockmayer cluster,” accepted by the International Journal of Quantum Chemistry.