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April 2025 – Congrats to Sydney and Rhiannon for their award winning undergrad theses.
Congratulations to Sydney and Rhiannon for successfully defending their undergrad thesis work. Rhiannon was awarded the best undergraduate thesis in Chemistry and Sydney was awarded the Hypercube undergraduate thesis award. Sydney’s thesis was titled “The Effect Of Chemically Invalid Metalorganic Frameworks On The Predictive Abilities Of Machine Learning Models” and Rhiannon’s thesis was titled ” A Computational Workflow for Identifying Novel Organic Linkers in MOFs for CO2 Capture”.
April. 2024 – Prof. Woo delivers Plenary Lecture at MOFSIM2024
Professor Woo presented a Plenary Lecture at the MOFSIM2024 (link) conference in Montpellier France titled “Buyer Beware: Alarming Structural Error Rates in MOF databases and Novel Detection and Correction Tools”
Jan. 2024 – We have moved our group news feed off of X/twitter
We have moved our group news feed off of X/twitter and will be migrating the news items back to our website posts.
Jan. 2021 – Publication in Nature Machine Intelligence.
January 2021. Our collaborative work with Randy Snurr’s and Alain Aspuru-Guzik’s lab on using variational autoencoders for MOFs was published. Yao, Z; Sanchez-Lengeling, B.; Bobbitt, S.; Bucior, B.J.; Kumar, Sai Govind Hari ; Collins, S.P.; Burns, T.; Woo, T.K.; Farha, O.; Snurr, R.Q.*; Aspuru-Guzik, A.* “Inverse Design of Nanoporous Crystalline Reticular Materials with Deep Generative Models”, Nature Machine Intelligence, 2021, 3, 76-86. DOI: 10.1038/s42256-020-00271-1.
March 2019 – Congratulations to Evans – Killam Fellowship
Congratulations to Evans on being awarded a prestiguous Killam Postdoctoral Fellowship which he is taking up at Dalhousie University to develop catalysts for water splitting.
January 2019 – Congratulations to Mykhaylo on his new job
January 30th 2019. Congratulations to Dr. Krykunov who has accepted a position at the Canada Bank Note Company as a machine learning developer. He will start there in the middle of March.
November 2018. Nagesh and Gokul visit the lab from the University of Alberta.
November 2018. Nagesh Pai and Gokul Subraveti from the process engineering group of Prof. Arvind Rajendran at the University of Alberta spend a week in the Woo lab to learn about molecular simulation methods.

September 2018. Chris Demone Successfully Defends his M.Sc. Thesis
September 2018. Chris Demone successfully defends his M.Sc. thesis titled “Partial Atomic Charge Methods for Simulating Porous Frameworks with a Net Charge and their Application to Gas Separations in Zeolites”. The committee has nominated his thesis for a thesis prize. Chris is already working at the Bank of Canada as an HPC specialist.