Gabe Gomes, PhD

Banting Postdoctoral Fellow @ Aspuru-Guzik Group, University of Toronto.

Gabe is an NSERC Banting Postdoctoral Fellow at the University of Toronto in the Matter Lab, led by Professor Alán Aspuru-Guzik. His research rests at the interface between machine learning and organic chemistry, where he aims to develop new platforms for autonomous reaction discovery, with emphasis on catalysis.

 
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interfacing chemistry and computer science

Main Research Lines


machine learning

catalysis & reaction design


physical organic chemistry

organic materials

blending chemistry and machine learning for better catalysis and materials


latest publications

 

most recent works



• “Illuminating the dark conformational space using dominant rotors”

Nature Chemistry2021



• “Beyond Generative Models: Superfast Traversal, Optimization, Novelty, Exploration and Discovery (STONED) Algorithm for Molecules using SELFIES”

ChemRxiV2021 + Github



“Data-science driven autonomous process optimization”

ChemRxiV, 2020



“Organic Molecules with Inverted Gaps between First Excited Singlet and Triplet States and Appreciable Oscillator Strengths”

ChemRxiV, 2020