Dr. Dennis Salahub

Biography

Dennis Salahub is a Professor and Professor Emeritus at the University of Calgary. His research primarily focuses on theoretical computational chemistry, particularly the applications of Density Functional Theory (DFT) to materials and biomolecular modeling. Over the years, he has improved Density Functional methods and has developed software tools that extend the range of applications of these methods. Salahub has proposed, tested, and implemented new functionals within the deMon code suite, which has aided many laboratories worldwide. His research employs fusion DFT-deMon techniques, incorporating reaction fields and molecular dynamics, with current efforts aimed at describing reactivity in complex environments, such as transition-metal catalysis and enzymatic catalysis. His overarching research goal is to develop the theoretical and computational expertise necessary to achieve a detailed microscopic understanding of the chemical reactions taking place in real, complex environments.

Research Interests