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 is one of the long-standing challenges in solid-state chemistry. Polymorphism denotes the ability of a molecule to crystallize in more than one structure or packing arrangement. This phenomenon has broad practical implications for a number of industries, ranging from pharmaceuticals (drugs) to textiles (dyes and pigments) or defense (energetic materials). More generally, we develop an understanding of self-assembly on the nanoscale (studying the formation of metal and semiconductor nanoparticles or of systems of biological interest) and of transport on the nanoscale (studying the conductivity and viscosity of liquids confined in nanopores).
Honors, Awards and other Significant Activities
|Prof. Delhommelle's CV
Online Submission to "Molecular Simulation"
University of North Dakota
151 Cornell Street Stop 9024
Grand Forks, ND 58202