Gabe Gomes
Also known as Gabriel Gomes
Gabe Gomes is a chemistry researcher who builds AI systems that plan and run laboratory experiments. He earned his chemistry doctorate at Florida State University in 2018 and pursued AI catalyst design as a postdoctoral fellow in Alán Aspuru-Guzik's Matter Lab at Toronto. After joining Carnegie Mellon in 2022, he helped develop Coscientist, a 2023 system that connects GPT-4 to research tools and laboratory equipment. His later work included CATNIP, a 2025 tool for matching molecules with enzymes. Since 2026, he is a research scientist at X, The Moonshot Factory, and is on leave from his Carnegie Mellon faculty role.
- Now at
- Carnegie Mellon University and X, The Moonshot Factory
- Works
- 134
- Citations
- 5,340
- h-index
- 36
- Badges
Publication numbers from OpenAlex, as of 27 October 2026.
Timeline
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2013
Chemistry studies in Rio
From Magé in Rio de Janeiro, Brazil, he earns a BSc in chemistry at the Federal University of Rio de Janeiro in 2013 under Pierre Mothè Esteves.
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2018
A doctorate at Florida State
He completes a chemistry PhD at Florida State University in 2018 under Igor V. Alabugin. His dissertation is titled Controlling Chemical Reactivity with Stereoelectronic Effects; his research examines the relationship between molecular structure and reactivity.
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2019–2020
Catalyst design at Toronto
In 2019, he joins the University of Toronto and the Vector Institute for Artificial Intelligence as a postdoctoral research fellow in the Matter Lab, led by Alán Aspuru-Guzik. He receives an NSERC Banting Postdoctoral Fellowship in 2020 for the project Designing Catalysts with Artificial Intelligence.
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2022
Joining Carnegie Mellon
In January 2022, he joins Carnegie Mellon University as an assistant professor in the Departments of Chemistry and Chemical Engineering. Chemical & Engineering News names him to its Talented 12 list in 2022.
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2023
Coscientist runs chemistry experiments
In 2023, he coauthors Autonomous chemical research with large language models, which introduces Coscientist. The GPT-4-based system uses web searches, technical documentation, code execution and laboratory automation to plan and perform experiments, including optimization of palladium-catalysed coupling reactions.
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June 2025
A roadmap for chemistry LLMs
In June 2025, he presents a roadmap with coauthors in Nature Computational Science for using large language models in chemical research. He describes how models can search literature, calculate chemical properties and control laboratory instruments through external tools.
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2025
CATNIP matches molecules and enzymes
In 2025, he works with Daniil Boiko and Alison Narayan's University of Michigan team to create CATNIP, an online system that uses machine learning to match starting compounds with enzymes. Within one enzyme family, chemists can use it to rank candidate biocatalysts or find possible substrates for an enzyme.
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Since 2026
Research scientist at X
In 2026, he joins X, The Moonshot Factory, as a research scientist. He is on leave from Carnegie Mellon University, where he leads the Gomes Group and holds faculty appointments in chemistry, chemical engineering and machine learning.
Career
- Since 2026X, The Moonshot FactoryResearch Scientist
- Since 2022Carnegie Mellon UniversityAssistant Professor, Faculty Member
- 2019–2022University of TorontoPostdoctoral Research Fellow
- 2019–2022Vector InstitutePostdoctoral Research Fellow
Education
- 2018Florida State UniversityPhD in chemistry
- 2013Federal University of Rio de JaneiroBSc in chemistry
Sources and credits
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- Gabriel Gomes - Fellows Society | The Graduate School
- Gabe Gomes - Chemical Engineering
- Gabe Gomes: Autonomous chemical research with large language models | Bakar Institute of Digital Materials for the Planet
- Chemistry's Gabe Gomes Named to Chemistry & Engineering News' Talented 12 - Department of Chemistry - Mellon College of Science - Carnegie Mellon University
- Autonomous chemical research with large language models | Nature
- Team Provides a Roadmap for Large Language Models in Chemical Research - Department of Chemistry - Mellon College of Science - Carnegie Mellon University
- CATNIP for chemists: Data-driven tool broadens access to green chemistry - Chemical Engineering
- Gabe Gomes - the Gomes group @ CMU | Gomes Group - Carnegie Mellon University