 Jerome DelhommellePhone 803.777.7316
Fax 803.777.8265
E-mail 3A01 Swearingen Chemical Engineering University of South Carolina 301 Main St. Columbia, SC 29208
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Jerome Delhommelle
Assistant Professor
Our research is in the field on molecular modeling
and simulation. More specifically, we are interested in developing and
using molecular simulation methods to analyze and understand the
microscopic mechanisms underlying various nonequilibrium processes. Our
recent research focuses on understanding and controlling polymorphism
in crystallization processes. 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 has broad practical implications for a number of
industries, ranging from pharmaceuticals (drugs) to textiles (dyes and
pigments) to defense (energetic materials).
Dr.
Delhommelle’s group develops expertise in a variety of molecular
simulation methods, such as Monte Carlo methods, equilibrium and
nonequilibrium molecular dynamics simulations and ab initio
calculations.
Education
- B. S., University of Paris Sud, Orsay, France (1994)
- M. S., University of Paris Sud, Orsay, France (1997)
- Ph. D., University of Paris Sud, Orsay, France (2000)
Recent Selected Publications
- C. Desgranges and J. Delhommelle, Controlling polymorphism during the crystallization of an atomic fluid, Phys. Rev. Lett. 98, 235502 (2007)
- C. Desgranges and J. Delhommelle, Molecular insight into the pathway to crystallization of Aluminium , J. Am. Chem. Soc. 129, 7012 (2007)
- C. Desgranges and J. Delhommelle, Insights into the molecular mechanism underlying polymorph selection , J. Am. Chem. Soc. 128, 15104 (2006)
- C. Desgranges and J. Delhommelle, Molecular mechanism for the cross-nucleation between polymorphs , J. Am. Chem. Soc. 128, 10368 (2006)
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