个人简介

Dr. Woo’s research focuses on using computer simulations model chemical processes at the atomic and electronic level. When examining individual molecules at this microscopic scale, quantum mechanical effects are important, in fact a sub-discipline of chemistry has evolved that is known as quantum chemistry. Quantum chemical simulations can provide detailed information and insights into processes that are difficult or impossible to obtain experimentally. Dr. Woo's research lab is focused on developing new simulation methods and applying them to study problems of technological importance. There is a particular focus on studying catalytic systems which are important for energy storage and energy conversion; there is also focus on catalysts used in the synthesis of new compounds and pharmaceuticals.

研究领域

Dr. Woo’s research focuses on using computer simulations model chemical processes at the atomic and electronic level. When examining individual molecules at this microscopic scale, quantum mechanical effects are important, in fact a sub-discipline of chemistry has evolved that is known as quantum chemistry. Quantum chemical simulations can provide detailed information and insights into processes that are difficult or impossible to obtain experimentally. Dr. Woo's research lab is focused on developing new simulation methods and applying them to study problems of technological importance. There is a particular focus on studying catalytic systems which are important for energy storage and energy conversion; there is also focus on catalysts used in the synthesis of new compounds and pharmaceuticals.

Welcome to the research web page of Professor Tom Woo, at the department of Chemistry, the University of Ottawa. We are situated in the beautiful city of Ottawa – Canada’s National Capital. Our principle research interests lie in the fields of computational chemistry and their applications to carbon capture and storage, clean energy technologies and catalysis. We are involved in the development and application of state-of-the-art molecular simulation techniques to model chemical systems at the atomic and electronic level. Our group is also heavily involved in advanced scientific computing and we run our own 1000+ CPU core and 10000+ GPU core computing facility.

近期论文

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Alavi, S., and T.K. Woo. How Much Carbon Dioxide Can be Stored in Structure H Clathrate Hydrates? A Molecular Dynamics Study. Journal of Chemical Physics,126, 044703/1-7, 2007 Yang, Z., T.K. Woo, M. Baudin, and K. Hermansson. Atomic and Electronic Structure of Unreduced and Reduced CeO2 Surfaces: A First-principles Study. J. Chem. Phys., 120, 7741-7749. , 2004 Lafrance, M., C.N. Rowley, T.K. Woo, and K. Fagnou. Catalytic Intermolecular Direct Arylation of Perfluorobenzenes. Journal of the American Chemical Society, 128, 8754-8756., 2006 Zahariev, F., S.V. Dudiy, J. Hooper, F. Zhang, and T.K. Woo. Systematic Method to New Phases of Polymeric Nitrogen Under High-pressure. Physical Review Letters, 97, 155503/1-4., 2006 Mosey, N.J., M.H. Müser, T.K. Woo. Molecular Mechanism for the Functionality of Lubricant Additives. Science, 307, 1612-1615. , 2005