Molecular Simulation of NonEquilibrium Processes

Our research is in the field of molecular modeling and simulation. More specifically, we are interested in developing and using molecular simulation methods, such as Monte Carlo methods, equilibrium and nonequilibrium molecular dynamics simulations, ab initio calculations, to analyze and understand the microscopic mechanisms underlying various nonequilibrium processes. Our recent research focuses on understanding and controlling polymorphism during crystallization. This phenomenon has broad practical implications for a number of industries, ranging from pharmaceuticals to advanced materials. More generally, we develop an understanding of self-assembly on the nanoscale and of transport in nanoconfined systems.

Prof. Jerome Delhommelle

Department of Chemistry

University of North Dakota

Grand Forks, ND 58202

Email: Prof. Jerome Delhommelle