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Presentations

2016

 

  1. Woo TK  “Datamining and Machine Learning Recognition of High Performance Materials for Carbon Capture 2016 Canadian Symposium on Theoretical and Computational Chemistry (CSTCC), Regina, SK, July 10-16, 2016. Invited.
  2. Woo TK “Construction of Hypothetical MOFs of Any Net Topology for High Throughput Screening and Data Mining” 44th National Seminar on Crystallography, Pune, India, July 10-13. Invited
  3. Woo TK  Department Seminar, National Chemistry Laboratory, Pune, India, July 9, 2016.
  4. Woo TK  Department Seminar, Jawaharlal Nehru Centre for Advanced Scientific Research, Bangalore, India, July 8, 2016.
  5. Woo TK Department Seminar, Indian Institute of Technology Bombay, Mumbai, India, July 7, 2016
  6. Woo TK “Large Scale Screening and Datamining of Nanoporous Materials for Carbon Capture” 21st International Workshop on Quantum Systems in Chemistry, Physics, and Biology (QSCP-XXI), Vancouver, BC, July 2-9 2016. Plenary Lecture.
  7. Boyd, PG, Woo TK “Introduction to TOBASCCO (TOpology BASed Crystal COnstructor“, International Scientific School “Combined Topological and DFT Methods for Prediction of New Materials II, Samara, Russia, July 4-10, 2016. Invited.
  8. Boyd, PG, Woo TK “A Graph Theoretic Approach for Constructing Materials of any Net Topology”, Applications of topological methods in materials science, Samara, Russia, July 1-2, 2016. Invited.
  9. Woo TK “Metal Organic Framework Materials for Clean(er) Energy Production” Invited Oral presentation given in the “Metals and Nanometals in the Environment” symposium at the 99th Canadian Chemistry Conference and Exhibition, Halifax, NS, June 5-9, 2016.
  10. Krykunov MDevelopment of Constricted Variational Density Functional Theory”  Invited Oral presentation given in the “Celebrating the Life and Science of Tom Ziegler” symposium at the 99th Canadian Chemistry Conference and Exhibition, Halifax, NS, June 5-9, 2016.
  11. Collins SP, Boyd PG, Woo TK “High-throughput Screening of Topologically Diverse MOFs for Vehicular Methane Storage” Oral presentation given in the “Data-driven Computational Chemistry: Models and Applications” symposium at the 99th Canadian Chemistry Conference and Exhibition, Halifax, NS, June 5-9, 2016.
  12. Woo TK  “A Computational Chemist’s Curious Course from Catalysis to Carbon Capture *Award Lecture for the CSC Tom Ziegler Award at the 99th Canadian Chemistry Conference and Exhibition, Halifax, NS, June 5-9, 2016.
  13. Boyd PG, Woo TK “A Graph Theoretic Approach for Constructing Materials of any Net Topology for High Throughput Screening” Oral presentation given in the ” Data-driven Computational Chemistry: Models and Applications” symposium at the 99th Canadian Chemistry Conference and Exhibition, Halifax, NS, June 5-9, 2016.
  14. Woo TK, Schreckenbach G, Pye CC “A Tribute to Tom Ziegler (1945-2015)” Oral presentation given in the “Celebrating the Life and Science of Tom Ziegler symposium at the 99th Canadian Chemistry Conference and Exhibition, Halifax, NS, June 5-9, 2016.
  15. Monyoncho EA, Steinmann SN, Michel M, Baranova EA, Woo TK, Sautet, P. “The Challenge of Splitting the C-C Bond During Ethanol Electrooxidation and Potential Opportunities: Insights from PMIRRAS and DFT Study”, Oral presentation given in the “Electrochemistry” symposium at the 99th Canadian Chemistry Conference and Exhibition, Halifax, NS, June 5-9, 2016. 
  16. Dureckova H, Alavi S, Woo TK “Does Halogen Bonding Drive the Formation of the Unique Bromine Clathrate Hydrate?” Poster 99th Canadian Chemistry Conference and Exhibition, Halifax, NS, June 5-9, 2016. 
  17. Burns TD, Boyd P, Daff T, Woo TK “Guiding the Design of Materials for Carbon Capture via High Throughput
    Determination and Data Mining of Binding Sites in Metal Organic Frameworks” Poster 99th Canadian Chemistry Conference and Exhibition, Halifax, NS, June 5-9, 2016.
  18. Collins SP, Daff TD, Burns TD, Boyd PG, Lo JW, Woo TK “FA3PS: A Fully Automated Computational Tool to Predict, Analyze and Optimize the Adsorption Properties of Nanoporous Materials” Poster 99th Canadian Chemistry Conference and Exhibition, Halifax, NS, June 5-9, 2016.
  19. Krykunov M, Demone C, Woo T “A New Split-charge Equilibration Model for Rapidly Generating Partial Atomic Charges for High Throughput Screening of Charged Materials”  Poster 99th Canadian Chemistry Conference and Exhibition, Halifax, NS, June 5-9, 2016.
  20. Collins SP, Daff TD, Dureckova H, Perim E, Skaf MS, Galvão DS, Woo TK “How do Carbon Nanoscroll Materials Perform for Carbon Capture and Methane Storage Applications?” Poster 99th Canadian Chemistry Conference and Exhibition, Halifax, NS, June 5-9, 2016.
  21. Woo TK “High Throughput Computational Screening and Data Mining of Nanoporous Materials for Clean Energy Applications” 4th Tunisian Nanoscience and Nanotechnology Workshop, Sousse, Tunisia, May 23-25, 2016, Invited.
  22. Woo TK  Department SeminarKing Abudulla University of Science and Technology, Saudi Arabia, May 19, 2016.

2015

  1. Peter G. Boyd, Tom K Woo, Crystal Structure Prediction of Nano-porous Materials from Graph Theory. (oral) 98th Canadian Chemistry Conference and Exhibition. Division: Physical, Theoretical and Computational Chemistry, Symposium: Computational Chemistry: Methods and Applications. Ottawa, ON, Canada. June 17 2015
  2. Peter G. Boyd, Thomas D Daff, Michael Fernandez, Tom K Woo, Computational High Throughput Screening of Metal Organic Frameworks For Carbon Capture from Post-Combustion Flue Gas. (oral) 98th Canadian Chemistry Conference and Exhibition. Division: Materials Chemistry, Symposium: Nanoporous Materials. Ottawa, ON, Canada. June 14 2015
  3. Woo, T.K.; Fernandez, M.; Daff, T.D.; Boyd, P.G.; Zein Aghaji, M., MOFinformatics: Adventures in High Throughput Screening and Data Mining of Materials. (invited presentation), 98th Canadian Chemistry Conference and Exhibition presented in the “Computational Chemistry ” symposium.  Ottawa, ON. June 13-17, 2015.
  4. Woo, T.K.; Collins, S.P.; M.; Daff, T.D.; Boyd, P.G.; Zein Aghaji M., Breeding a Better MOF and other Virtual Screening Tools for Nanoporous Materials Development,  98th Canadian Chemistry Conference and Exhibition presented in the “Nanoporous Materials” symposium.  Ottawa, ON. June 13-17, 2015.
  5. Collins S.P.; Daff T.D.; Woo, T.K., The Materials Mating Game: Evolutionary Optimization of Functional Groups in Metal-organic Framework CO2 Capture. (Poster) 98th Canadian Chemistry Conference and Exhibition presented in the “Materials Posters” symposium.  Ottawa, ON. June 13-17, 2015.
  6. Dureckova H.; Alavi, S.; Woo, T.K.: Is Halogen Bonding Important in the Formation of Cl2, Brand BrCl Clathrate Hydrates? (Poster) 98th Canadian Chemistry Conference and Exhibition.  2nd place award in the Undergraduate Poster Competition for “Physical/Theoretical/Computation” division. Ottawa, ON. June 13-17, 2015.
  7. Lo, J. W.-H.; Demone, C.; Campañá, C.; Boyd, P.; Woo, T.K., Electrostatic Potential Fitted Atomic Charges of Periodic Systems with Net Charges. (Poster), 98th Canadian Chemistry Conference and Exhibition presented in the “Physical, Theoretical, and Computation ” symposium. Ottawa, ON. June 13-17, 2015.
  8. Collins S.P.; Fernandez, M; Daff, T.D.; Boyd, P.G.; Zein Aghaji, M; Woo, T.K., Rapid Screening of Millions of Metal Organic Framework Materials for CO2 Capture Using Machine Learning and Materials Informatics. (Poster) Opportunities in Materials Informatics. Madison, WI, USA. February 9-10, 2015.
  9.  Zein Aghaji, M.;Fernandez, M.; Daff, T.D.; Boyd, P.G.; Woo, T.K,:Machine Learning Classifiers that can identify of high preforming Metal Organic Frameworks for CO2 capture and CH4 purification.(Poster) 98th Canadian Chemistry Conference and Exhibition presented in the “Nanoporous Materials” symposium.  Ottawa, ON. June 13-17, 2015.
  10. Zein Aghaji, M.;Fernandez, M.; Daff, T.D.; Boyd, P.G.; Woo, T.K,:What are the Key Structural and Chemical Features of High Performing Metal Organic Frameworks for Natural Gas purification? A Computational High Throughput Screening Study.(Poster) 98th Canadian Chemistry Conference and Exhibition presented in the “Nanoporous Materials” symposium.  Ottawa, ON. June 13-17, 2015.
  11. Burns, T.D.; Daff, T.D.; Woo, T.K.: Locating the Binding Sites in Millions of Metal Organic Frameworks: An Automated Binding Site Location Algorithm.  (Poster) 98th Canadian Chemistry Conference and Exhibition.  Honourable mention award in the graduate student poster competition in the “Physical/Theoretical/Computation” division. Ottawa, ON. June 13-17, 2015.

2014

  1. Collins, S.P.; Daff T.D.; Woo, T.K., Materials Mating Game: Evolutionary Optimization of Nanoporous Materials for CO2 Capture. (Poster) 26th Canadian Symposium on Theoretical and Computational Chemistry (CSTCC). Montreal, QC. 8th July, 2014.
  2. Provost, B.R.; Guo, L.; Daff, T.D.; Sutrisno, A.; Huang, Y.; Woo, T.K., Using Molecular Simulation to Aid in the Interpretation of Solid-State NMR of Metal Organic Frameworks. (Poster) 97th Canadian Canadian Chemistry Conference and Exhibition (CSC 2014) (Physical, Theoretical and Computational Section, PTP- Poster Session). Vancouver Convention Center, Vancouver, BC. 2nd June, 2014.
  3. Monyoncho, E., Ntais, S., Woo, TK. and Baranova, E., Effect of Surface Structure on Catalytic activity of PdxRu1-x/C Nanoparticles for Ethanol Electrooxidation. (Oral) 97th Canadian Society for Chemistry (CSC) Conference, Symposium: Surface Electrochemistry – From Fundamental Studies to Advanced Electrocatalyst Materials. Vancouver, BC. June 5, 2014.
  4. Collins, S.P.; Daff T.D., Woo T.K., Materials Mating Game: Metal Organic Framework Optimization for CO2 Capture. (Oral) Computer-aided Molecular Design of Drugs and Materials: New Methodologies and Application, 97th Canadian Chemistry Conference and Exhibition (CSC). Vancouver, BC. 4th June, 2014.
  5. Collins, S.P.; Fernandez M, Daff T.D., Boyd P.G., Zein Agahaji M.; Woo T.K., Rapid Machine Learning and Chemoinformatic Tool for Optimization of Materials for Clean Energy Applications. (Oral) Computer-aided Molecular Design of Drugs and Materials: New Methodologies and Application, 97th Canadian Chemistry Conference and Exhibition (CSC). Vancouver, BC. 4th June, 2014.
  6. De Luna, P.; Daff T.D.; Fernandez, M.; Boyd, P.G.; Woo, T.K.,  High-Throughput Computational Screening of Metal Organic Frameworks for CO2 Capture and Sequestration. Carbon Management Canada (CMC) Conference. May 25 – 27th, 2014. (Poster Presentation Award)
  7. Collins, S.P.; Daff T.D.; Woo T.K., A Novel Computational Screening Approach to Finding Solid Sorbents for Low-cost-post-combustion CO2 Capture. (Poster) 4th Annual Carbon Management Canada Conference (CMC). Banff, AB. 28th May, 2014.
  8. De Luna, P.; Fernandez, M.; Briard, J.; Woo, TK; and Ben RN, Synergetic Experimental and 3D-QSAR Screening of Ice Recrystallization Inhibitors for Organ and Blood Preservation. (Poster) Transformational Technologies in Materials Science (TTMS) Summer School. Madison, WI, USA. May 20th, 2014. (Hon. Mention)
  9. Collins, S.P.; Daff T.D.; Woo T.K., Materials Mating Game: Evolutionary Optimization of Nanoporous Materials for CO2 Capture. (Poster) Transformational Technologies in Molecular Simulation (TTMS). Madison, WI, USA. 20th May, 2014. (Hon. Mention)
  10. Provost, B.R.; Guo, L.; Daff, T.D.; Sutrisno, A.; Huang, Y.; Woo, T.K., Using Molecular Simulation to Aid in the Interpretation of Solid-State NMR of Metal Organic Frameworks. (Poster) 97th Canadian Canadian Chemistry Conference and Exhibition (CSC 2014) (Physical, Theoretical and Computational Section, PTP- Poster Session). Vancouver Convention Center, Vancouver, BC. 2nd June, 2014.
  11. Kadantsev, E.; Provost, B.R.; Woo, T.K., Binding Site Analysis to Guide Discovery of High Performance CO2 Capture Sorbents. (Poster) Transformational Technologies in Molecular Simulation (TTMS). University of Madison, Madison, WI (USA). 20th May, 2014.
  12. Aljawahari, M.; Daff, T.D.; Woo, T.K.,Building better computer models for CO2 capture materials: Simulating functional groups in MOFs. (Poster) Undergraduate Research Opportunity Program (UROP) Poster Session. University of Ottawa, Ottawa, ON. 25 March 2014.
  13. Peter G. Boyd, Thomas D Daff, Michael Fernandez, Tom K. Woo, Large-scale computational high throughput screening of nano-porous materials for post combustion carbon capture and storage. (oral) 247th ACS National Meeting. Division: Energy and Fuels, Symposium: Innovations in Carbon Dioxide Capture, Storage, Conversion and Utilization. Dallas, TX, USA. March 16 2014

2013

  1. Provost, B.R.; Guo, L.; Daff, T.D.; Sutrisno, A.; Huang, Y.; Woo, T.K., Using Molecular Simulation to Aid in the Interpretation of Solid-State NMR of Metal Organic Frameworks. (Poster) 16th Annual Chemistry and Biochemistry Graduate Research Conference (CBGRC). Concordia University, Montreal, QC. 22nd November, 2013.
  2. Provost, B.R.; Guo, L.; Daff, T.D.; Sutrisno, A.; Huang, Y.; Woo, T.K. Using Molecular Simulation to Aid in the Interpretation of Solid-State NMR of Metal Organic Frameworks. (Poster) 46th Inorganic Discussion Weekend (IDW). York University, Toronto, ON. 9th November, 2013.
  3. T. D. Daff, S. P. Collins, T. K. Woo Property-based evolutionary design and optimisation of functionalised metal organic frameworks. (Oral) 46th Inorganic Discussion Weekend, York, ON, Canada. 8-10 November 2013
  4. Collins SP, Daff TD, Woo TK, Optimizing the Functionalization of Metal Organic Frameworks for Post-Combustion CO2 Capture Using a Genetic Algorithm. (Poster) Centre for Catalysis Research and Innovation Day. Ottawa, ON. 12th September, 2013.
  5. Kadantsev, E.; Provost, B.R.; Woo, T.K. Binding Site Analysis to Guide Discovery of High Performance CO2 Capture Sorbents. (Poster) Center for Catalysis Research and Innovation (CCRI) Annual Meeting. University of Ottawa, Ottawa, ON. 12th September, 2013.
  6. Provost, B.R.; Sutrisno, A.; Daff, T.D.; Woo, T.K.; Huang, Y. Molecular Simulation as a Tool to Aid in Interpretation of 67Zn Solid State NMR for Characterization of Guest-Host Interactions in Metal Organic Frameworks. (Poster) Center for Catalysis Research and Innovation (CCRI) Annual Meeting. University of Ottawa, Ottawa, ON. 12th September, 2013.
  7. T. D. Daff, Virtual Screening Tools for the Optimization of Metal Organic Framework Materials for Carbon Capture and Storage. (Oral) Inventys, NSERC Interaction Grant. Vancouver, BC, Canada. 2nd August, 2013.
  8. Collins SP, The Materials Mating Game: Breeding MOFs for Low Cost CO2 Capture. (Oral) Inventys, NSERC Interaction Grant. Vancouver, BC. 2nd August, 2013.
  9. T. D. Daff, S. P. Collins, M. Fernandez, E.S. Kadantsev, P. G. Boyd, M. Zein Aghaji, B. Provost, T. K. Woo New computational tools for property-based evolutionary design and optimisation of metal organic frameworks for carbon capture. (Poster) Carbon Management Canada’s third annual conference, Calgary, AB, Canada. 3-5 June 2013 (runner up)
  10. Kadantsev, E.; Provost, B.R.; Woo, T.K. Binding Site Analysis to Guide Discovery of High Performance CO2 Capture Sorbents. (Poster) Carbon Management Canada (CMC) – National Centre of Excellence (NCE) Annual Conference. The Westin Hotel, Calgary, AB. 4th June, 2013
  11. Bulsink, P., Korobkov, I., Woo, T., Richeson, D., Transforming the Chemistry of Re(I) to Access the Elusive Pincer Geometry. (Poster), CSC2013 – Inorganic Chemistry Poster Symposium. Quebec, QC, Canada. 28 May, 2013. (Graduate Student Poster Award)
  12. Collins S.P., Mating and Breeding MOFs for Carbon Capture: An Evolutionary Algorithm for Material Property Optimization. (Oral) Centre for Catalysis Research and Innovation Technical Seminar. Ottawa, ON. 28th February, 2013.
  13. Peter G. Boyd, Thomas D Daff, Tom K Woo, Large-Scale Computational High Throughput Screening of Nano-Porous Materials for Post Combustion Carbon Capture and Storage. (poster) 3rd Carbon Management Canada Conference. Calgary, AB, CA. June 3-5, 2013

2012

  1. T. D. Daff, P. G. Boyd, M. Fernandez, E. S. Kadantsev, T. K. Woo,Large Scale High Throughput Screening and Chemometric Analysis of Nanoporous Materials for Clean Energy Applications. (Oral) 2012 MRS Fall Meeting, Symposium QQ – Materials Informatics. Boston, Massachusetts, USA. 25-30 November 2012
  2. M. Fernandez, T. D. Daff, P. G. Boyd, E. S. Kadantsev, N. Trefiak, T. K. Woo,Chemoinformatics Based Webserver Applications to Predict Gas Adsorption Properties in Nanoporous Materials. (Poster) 2012 MRS Fall Meeting. Boston, Massachusetts, USA. 25-30 November 2012. (shortlisted finalist)
  3. T. D. Daff, P. G. Boyd, E. S. Kadantsev, M. Fernandez, T. K. Woo, FA3PS A Code for Fully Automated Adsorption Analysis in Porous Solids for High Throughput Computational Screening. (Poster) 45th Inorganic Discussion Weekend. Ottawa, ON, Canada. 2-4 November 2012.
  4. Collins S.P., Daff T.D., Woo T.K., Optimizing the Functionalization of Metal Organic-Frameworks for Post-Combustion CO2 Capture Using a Genetic Algorithm. (Poster) 45th Inorganic Discussion Weekend (IDW). Ottawa, ON. 3rd November, 2012
  5. Provost, B.R.; Sutrisno, A.; Daff, T.D.; Woo, T.K.; Huang, Y. Molecular Simulation as a Tool to Aid in Interpretation of 67Zn Solid State NMR for Characterization of Guest-Host Interactions in Metal Organic Frameworks. (Poster) 45th Inorganic Discussion Weekend (IDW). University of Ottawa, Ottawa, ON. 3rd November, 2012.
  6. Provost, B.R.; Daff, T.D.; Woo, T.K. How well do common force fields perform in predicting N2/CO2 selectivity in metal organic frameworks? (Poster) 45th Inorganic Discussion Weekend (IDW). University of Ottawa, Ottawa, ON. 3rd November, 2012. (Poster Presentation Prize)
  7. T. D. Daff, P. G. Boyd, E. S. Kadantsev, M. Fernandez, T. K. Woo, FA3PS A Code for Fully Automated Adsorption Analysis in Porous Solids for High Throughput Computational Screening. (Poster) 25th Canadian Symposium on Theoretical and Computational Chemistry. Guelph, ON, Canada. 22-27 July 2012.
  8. Provost, B.R.; Sutrisno, A.; Daff, T.D.; Woo, T.K.; Huang, Y. Molecular Simulation as a Tool to Aid in Interpretation of 67Zn Solid State NMR for Characterization of Guest-Host Interactions in Metal Organic Frameworks. (Poster) 25th Canadian Symposium on Theoretical and Computational Chemistry (CSTCC). University of Guelph, Guelph, ON. 24th July, 2012.
  9. T. D. Daff, P. G. Boyd, T. K. Woo,High Throughput Screening of Nanoporous Materials for Clean Energy Applications. (Oral) 95th Canadian Chemistry Conference, Symposium PT7 – Diversity and Challenges of Inorganic Molecular and Materials Modelling. Calgary, AB, Canada, 26-30 May 2012.
  10. T. D. Daff, P. G. Boyd, E. S. Kadantsev, M. Fernandez, T. K. Woo, FA3PS A Code for Fully Automated Adsorption Analysis in Porous Solids for High Throughput Computational Screening. (Poster) 95th Canadian Chemistry Conference. Calgary, AB, Canada. 26-30 May 2012.
  11. Peter G. Boyd, Thomas D Daff, Eugene Kadantsev, Michael Fernandez, Mohammad Zein-Aghaji, Sean Collins, Bianca Provost, Tom K. Woo, Combinatorial Structure Generation and Virtual Screening of Hundreds of Thousands of Metal Organic Frameworks for Post-Combustion CO2 Capture. (oral) Inorganic Discussion Weekend 2012. Ottawa, ON, CA. November 4 2012.
  12. Peter G. Boyd, Thomas D Daff, Michael Fernandez, Tom K Woo, In silico Construction of Metal Organic Framework Materials for High Throughput Virtual Screening and Data Mining of Materials for CO2 Capture. (poster) 25th Canadian Symposium on Theoretical and Computational Chemistry. Guelph, ON, CA. July 24, 2012

2011

  1. Provost, B.R.; Daff, T.D.; Woo, T. CO2 Capture in the Nanoporous Material ZIF-8. Undergraduate Research Opportunity Program (UROP) Poster Session. (Poster) University of Ottawa, Ottawa, ON. 29th March, 2011
  2. T. D. Daff, P. G. Boyd, B. R. Provost, Virtual High Throughput Screening of Nano-Porous Materials for Carbon Capture. (Poster) Jacques Cartier Colloquium on 21st Century Catalysis. Ottawa, ON, Canada. 29–30 September 2011.
  3. T. D. Daff, P. G. Boyd, B. R. Provost, Virtual High Throughput Screening of Nano-Porous Materials for Carbon Capture. (Poster) 2011 CCRI Annual Meeting. Ottawa, ON, Canada. 15 September 2011.
  4. Peter G. Boyd, Thomas D Daff, David van Rijswijk, Tom K Woo, Advances in the Molecular Modeling of Metal Organic Frameworks for Carbon Dioxide Capture. (oral) 11th Centre for Research in Molecular Modeling Symposium. Montreal, QC, CA. June 4 2011.
  5. Peter G. Boyd, Thomas D Daff, Tom K Woo, Virtual High Throughput Screening of Nano-Porous Materials for Carbon Capture. (poster) 23me Entretiens Jacques Cartier Colloquium. Symposium: 21st Century Catalysis Science and Applications. Ottawa, ON, CA. September 29, 2011

2010 and Earlier

  1. Peter G. Boyd, Saman Alavi, David van Rijswijk, Tom K Woo, Investigations Into CO2 Selectivity and Storage Capacity of Metal Organic Frameworks: A Molecular Simulation Study. (poster) 239th ACS National Meeting. Division: Fuel Chemistry Symposium: Advances in Fuel Science and Technology. San Francisco, CA, USA. March 22, 201