B. Sc. Manitoba
M. Sc., Ph. D. Toronto
( Theoretical Condensed Matter Physics,
Atomic and Molecular Physics)
The primary research objective includes molecular modeling and dynamic simulation of polymer systems. The microscopic structure and the dynamic behavior of polymers is investigated using various first principles methods. This approach involves the use of the quantum mechanical and semiempirical programs as well as molecular dynamics codes. Both the ab initio molecular orbital and the density functional theory formalisms are employed in the computations. Polymer systems modeled include: conducting, organic polymers and oligomers and biological membranes and proteins and inorganic polymers used for imprinting materials. This work is performed in collaboration with researchers in the departments of chemistry and physics at the Memorial University of Newfoundland and at NRC.
J. B. Lagowski, Professor