معرفی
Gabriel Gomes is an Assistant Professor in the Departments of Chemistry and Chemical Engineering at Carnegie Mellon University, where he leads the Gomes Group research program focused on the intersection of machine learning and chemistry. His work centers on developing new chemical reactions, catalysts, and materials using state-of-the-art machine learning and automated synthesis techniques.
Dr. Gomes received his Ph.D. in Chemistry from Florida State University in 2018 under Professor Igor V. Alabugin, where he researched stereoelectronic effects. Prior to joining CMU in 2022, he was a Banting Postdoctoral Fellow at the University of Toronto in the Matter Lab led by Professor Alán Aspuru-Guzik. He earned his B.S. in Chemistry from Federal University of Rio de Janeiro, Brazil in 2013.
His research program focuses on developing autonomous platforms for reaction discovery, with emphasis on catalysis. Gomes aims to create inverse design frameworks where algorithms can propose new functional catalysts from scratch based on desired properties. His work integrates quantum mechanics with machine learning to teach computers chemical intuition, enabling novel approaches to catalyst design and chemical synthesis. He strongly advocates for the integration of AI with human creativity to transform chemical research.
Gomes' recent publications demonstrate a clear trend toward integrating large language models with chemical discovery, developing transferable machine learning potentials for catalysis, and advancing molecular representations with quantum chemical insights. His work spans from fundamental quantum chemistry to practical applications in biocatalysis and materials design.
- Scialog Fellow (2023)
- C&EN Talented Twelve (2022)
- NSERC Banting Postdoctoral Fellowship (2020-2021)
- CAS SciFinder Future Leaders Program (2018)
- ACS COMP Chemical Computing Group Excellence Award (2018)
- FSU's Graduate Student Research and Creativity Award (2018)
- IBM Ph.D. Scholarship (2017)
Dr. Gomes mentors several graduate students including Robert MacKnight and Daniil Boiko, who have contributed to projects like the Catnip web application for biocatalyst prediction. His research has received funding through prestigious programs like the Scialog Automating Chemical Laboratories awards. Gomes actively promotes open science initiatives and has contributed to the Open Reaction Database to improve data accessibility for machine learning in chemistry.
The Gomes Group operates at the cutting edge of AI-driven chemistry research, developing tools like Coscientist that bridge the gap between natural language prompts and actual chemical reactions. Their work on autonomous reaction discovery systems represents a significant step toward fully automated chemical laboratories where machines can 'dream of molecules' with specific desired properties.
