Dr. Adrian Weber, Department of Chemistry, Brandon University

Solving complicated NMR spectra with evolutionary strategies and alkyl chain chemical physics in liquid-crystal condensed phases.

Abstract

Genetic algorithms employ the principles of natural selection in order to solve a variety of computational problems.  In particular these algorithms have proven essential in solving the Nuclear Magnetic Resonance (NMR) spectra of molecules in partially ordered liquid crystalline phases that would have been impossible by conventional means.  Once spectral parameters are obtained the science can begin and to this end an application toward a better understanding of alkane conformational population behavior is discussed.