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.
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”
• “Beyond Generative Models: Superfast Traversal, Optimization, Novelty, Exploration and Discovery (STONED) Algorithm for Molecules using SELFIES”
• “Data-science driven autonomous process optimization”
• “Organic Molecules with Inverted Gaps between First Excited Singlet and Triplet States and Appreciable Oscillator Strengths”