Tom K. Woo, Ph.D.

2005- Chemistry University of Ottawa, Ottawa, ON, Canada 
computational chemistry, metal organic frameworks, molecular dynamics, chemoinformatics, quantum chemistry, ab initio molecular dynamics, QM/MM
"Tom Woo"

Tom earned a Ph.D in Chemistry from the University of Calgary under the supervision of famed theoretical chemist Tom Ziegler in 1998. His Ph.D. thesis won the Canadian Association of Graduate Studies Distinguished Dissertation Award for Natural Sciences, Health Sciences and Engineering (only 1 awarded per year). He was then awarded a prestigious NSERC Post-doctoral fellowship where he worked at the ETH Zürich, Switzerland, with Prof. Röthlisberger and van Gunsteren 1998-1999. Following that Tom became an Assistant Professor at the University of Western Ontario in London, Ontario from 2000-2005 where he was awarded the Premier’s Research Excellence (early career) Award and various undergraduate Teaching honours. In late 2005, moved to the University of Ottawa as a Canada Research Chair in Catalyst Modelling and Computational Chemistry where he is currently a Full Professor of Chemistry. Tom

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Burns T, Pai KN, Subraveti SG, et al. (2020) Prediction of MOF performance in Vacuum-Swing Adsorption systems for post-combustion CO2 capture based on integrated molecular simulation, process optimizations, and machine learning models. Environmental Science & Technology
Krykunov M, Woo TK. (2018) Bond type restricted property weighted radial distribution functions for accurate machine learning prediction of atomization energies. Journal of Chemical Theory and Computation
Krykunov M, Demone C, Lo JW, et al. (2017) A New Split Charge Equilibration Model and REPEAT Electrostatic Potential Fitted Charges for Periodic Frameworks with a Net Charge. Journal of Chemical Theory and Computation
Murugesu M. (2016) Intercalation of Coordinatively Unsaturated FeIII Ion within Interpenetrated MOF-5. Chemistry (Weinheim An Der Bergstrasse, Germany)
Dureckova H, Woo TK, Alavi S. (2016) Molecular simulations and density functional theory calculations of bromine in clathrate hydrate phases. The Journal of Chemical Physics. 144: 044501
Boyd PG, Woo TK. (2016) A generalized method for constructing hypothetical nanoporous materials of any net topology from graph theory Crystengcomm. 18: 3777-3792
Daff TD, Collins SP, Dureckova H, et al. (2016) Evaluation of carbon nanoscroll materials for post-combustion CO2 capture Carbon. 101: 218-225
Mullangi D, Dhavale V, Shalini S, et al. (2016) Low-Overpotential Electrocatalytic Water Splitting with Noble-Metal-Free Nanoparticles Supported in a sp3 N-Rich Flexible COF Advanced Energy Materials
Dureckova H, Woo TK, Alavi S, et al. (2015) Molecular dynamics simulation of halogen bonding in Cl2, BrCl, and mixed Cl2/Br2 clathrate hydrates Canadian Journal of Chemistry. 93: 864-873
Holmberg RJ, Kay M, Korobkov I, et al. (2014) An unprecedented Co(II) cuboctahedron as the secondary building unit in a Co-based metal-organic framework. Chemical Communications (Cambridge, England). 50: 5333-5
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