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February 2018. Hanna Successfully Defends her M.Sc. Thesis.
February 2018. Congratulations to Hanna Dureckova for successfully defending her thesis titled ” Robust Machine Learning QSPR Models for Recognizing High Performing MOFs for Pre-Combustion Carbon Capture and Using Molecular Simulation to Study Adsorption of Water and Gases in Novel MOFs”. Hanna is moving back to Japan to be closer to family but already has a job lined up in Tokyo.
January 2018. Ludwig Joins the Group
Jan. 2018. Ludwig Schwiedrzik joins the group as an exchange Master’s student from the University of Vienna. Ludwig will do his graduate courses and research project at the University of Ottawa.
June 2017. Congratulations to Mohammad Zein Aghaji for successfully defending his Ph.D.
June 2017. Congratulations to Mohammad Zein Aghaji for successfully defending his Ph.D. thesis titled “Large Scale Computational Screening of Metal Organic Framework Materials for Natural Gas Purification”. He has already started his permanent position at Health Canada developing data-driven toxicity models.
April 2017. Woo Lab moves to King Edward Street
April 2017. The Woo lab has moved to a house on King Edward to accommodate renovations to the old Chemistry building and the construction of the new STEM building.
March 2017. Congrats to Evans for successfull defending his Ph.D. thesis.
March 2017. Congratulations to Evans Monyocho for successfully defending his Ph.D. thesis (co-supervised with Prof. Baranova) titled “In-SituandComputational Studies of Ethanol Electrooxidation Reaction: Rational CatalystDesign Strategies. Evans will start working G-batteries.
July 2016 – Congratulations to Sean for being awarded a Queen Elizabeth II graduate scholarship
Congratulations to Sean Collins for being awarded a Queen Elizabeth II Graduate Scholarship in Science and Technology (QEII-GSST). Below is a picture of Sean winning the group’s hot wing eating contest.
July 2016 – Peter presents at the Applications of Topological Methods in Materials Science meeting in Russia
Peter Boyd, presented an invited talk at the “Applications of topological methods in materials science” International workshop in Samara, Russia, July 1-4, 2016. Peter presented the talk “A Novel Method for Constructing Nano Porous Materials from Labelled Quotient Graphs” . As well, he ran a practical tutorial on the group’s TOBASSCO (TOpology BASed Crystal COnstructor) package.
June 2016 – Woo wins the inaugural Canadian Society for Chemistry Tom Zielger Award
Woo was awarded the first every Tom Ziegler Award from the Canadian Society for Chemistry. The award, sponsored by Scientific Computing & Modelling NV, is presented to a scientist residing in Canada who has made a distinguished contribution to computational or theoretical chemistry while working in Canada. Woo’s Award talk was titled “A Computational Chemist’s Curious Course from Catalysis to Carbon Capture”.
June 2016 – Group attends Canadian Society for Chemistry National meeting in Halifax
Mykhaylo, Sean, Evans, Tom B, Hanna, and Woo attended the 99th Canadian Chemistry Conference and Exhibition in Halifax (June 5-9th). The following poster and oral presentations were given:
“FA3PS: A Fully Automated Computational Tool to Predict, Analyze and Optimize the Adsorption Properties of Nanoporous Materials “(Poster) Collins SP, Daff TD, Burns TD, Boyd PG, Lo JW, 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) BurnsTD , Boyd P, Daff T, Woo TK
“Does Halogen Bonding Drive the Formation of the Unique Bromine Clathrate Hydrate?” (Poster) Dureckova H, Alavi S, Woo TK
“A New Split-charge Equilibration Model for Rapidly Generating Partial Atomic Charges for High Throughput Screening of Charged Materials” Krykunov M, Demone C, Woo T
“The Challenge of Splitting the C-C Bond During Ethanol Electrooxidation and Potential Opportunities: Insights from PMIRRAS and DFT Study” (Oral) Monyoncho EA, Steinmann SN, Michel M, Baranova EA, Woo TK, Sautet, P
“A Tribute to Tom Ziegler (1945-2015)” (Oral) Woo TK, Schreckenbach G, Pye CC
“A Graph Theoretic Approach for Constructing Materials of any Net Topology for High Throughput Screening”(Oral) Boyd PG, Woo TK
“High-throughput Screening of Topologically Diverse MOFs for Vehicular Methane Storage”(Oral) Collins SP, Boyd PG, Woo TK
“Metal Organic Framework Materials for Clean(er) Energy Production” (Oral) Woo TK
“A Computational Chemist’s Curious Course from Catalysis to Carbon Capture” (Award Lecture) Woo TK
“Development of Constricted Variational Density Functional Theory” (Oral) Krykunov M
