Jul 20

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