BSc, MSc Carleton University (Ottawa)
PhD Clarkson University (Potsdam, New York)
Dr. Gino DiLabio
Professor of Chemistry
Dean, Irving K. Barber Faculty of Science
University of British Columbia
Kelowna, British Columbia
CANADA V1V 1V7
PositionsWe are always interested in welcoming motivated, talented MSc and PhD students to the group. Post-doctoral Fellow Opportunities: We currently have an opening for an individual with expertise in polymer modeling.
Noncovalent Interactions in Chemistry and Physics
Noncovalent interactions play a central role in determining structure and reactivity throughout chemistry and physics. Our group develops and applies computational methods to understand this role. We have recently published an editing volume entitled "Noncovalent interactions in quantum chemistry and physics: Theory and application". The book features contributions from some of the world-leading researchers in the field.
Our most recent research work in this area is focussed on the development of very computationally efficient methods that allow us to model large systems of biochemical relevance, like proteins and enzymes.
Radicals in Chemistry and Physics
We are using computational chemistry techniques to study a wide variety of radical systems in chemistry, biochemistry and physics. Our current research focusses on quantum effects in enzymes that mediate radical rearrangement processes.
Our collaborations across Canada and in Europe give our group members the opportunity to work with world leaders in areas related to radical chemistry, device engineers, and material scientists.
Grabowski, J.; Konopko, A.; Krokosz, A.; DiLabio, G. A.; Litwinienko, G. Antioxidant activity of highly hydroxylated fullerene C60 and its interactions with the analogue of α-tocopherol Free Radical Biology and Medicine 2020, 160, 734-744.
van Dyck, C.; Bergren, A.J.; Mukundan, V.; Fereiro, J. A.; DiLabio, G. A. Extent of conjugation in diazonium-derived layers in molecular junction devices determined by experiment and modelling Phyical Chemistry Chemical Physics 2019, 21, 16762-16770.
Baschieri, A.; Valgimigli, L.; Gabbanini, S.; DiLabio, G. A.; Romero-Montalvo, E.; Amorati, R. Extremely fast hydrogen atom transfer between nitroxides and HOO. radicals and implication in catalytic co-antioxidant systems Journal of the American Chemical Society 2018, 140, 10354-10362.
Noestheden, M.; Dennis, E. G.; Romero-Montalvo, E.; DiLabio, G. A.; Zandberg, W. F. Detailed characterization of glycosylated sensory-active volatile phenols in smoke-exposed grapes and wine Food Chemistry 2018, 259, 147-156.
Shaterzadeh-Yazdi,Z.; Sanders, B. C.; DiLabio, G. A. Ab initio characterization of coupling strength for all types of dangling-bond pairs on the hydrogen-terminated Si (100)-2× 1 surface Journal of Chemical Physics 2018, 148, 154701
Prasad, V. K.; Otero-de-la-Roza, A.; DiLabio, G. A. Atom-Centered Potentials with Dispersion-Corrected Minimal-Basis-Set Hartree–Fock: An Efficient and Accurate Computational Approach for Large Molecular Systems Journal of Chemical Theory and Computation 2018, 14, 726–738.
Otero-de-la-Roza, A.; DiLabio, G. A.; Johnson, E. R. Exchange-correlation effects for non-covalent interactions in density-functional theory. Journal of Chemical Theory and Computation 2016, 12, 3160-3175.
Otero-de-la-Roza, A.; Johnson, E. R.; DiLabio, G. A. Noncovalent interactions in density-functional theory. Reviews in Computational Chemistry, Eds. Abby L. Parrill and Kenny B. Lipkowitz, 2016, 29, Chapter 1, 1-19.
van Santen, J. A.; DiLabio, G. A. Dispersion Corrections Improve the Accuracy of Both Noncovalent and Covalent Interactions Energies Predicted by a Density-Functional Theory Approximation. Journal of Physical Chemistry A 2015, 119, 6703-6713.
Otero-de-la-Roza, A.; Johnson, E. R.; DiLabio, G. A. Halogen bonding from dispersion-corrected density-functional theory: the role of delocalization error. Journal of Chemical Theory and Computation 2014, 10, 5436-5447.
DiLabio, G. A.; Wolkow, R. A.; Pitters, J. L.; Piva, P. G. Method for controlling quantum dot device by perturbing dangling bond electronic states. US Patent 9,213,945, Published 2015/12/15.
DiLabio, G. A.; Mackie, I.; Dettman, H. D. Asphaltene components as organic electronic materials. US Patent 9,065,059; Published 2015/6/23.
A full list of publications can be found here.
Last reviewed 06/07/2018