Gabriel Dos Passos Gomes

34PUBLICATIONS
46CO-AUTHORS
Chemical and thermal processes in energy and combustionModelling and simulationSynchrotronsNatural language processingPyrometallurgy
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Publications (34)

|Oct 01, 2025
Connecting chemical and protein sequence space to predict biocatalytic reactions.

Alexandra E Paton, Daniil A Boiko, Jonathan C Perkins

|Jun 24, 2025
Rethinking chemical research in the age of large language models.

Robert MacKnight, Daniil A Boiko, Jose Emilio Regio

|Feb 04, 2025
Vibrationally Assisted Tunneling through the Bread of a Proton Sandwich─Connections to Dynamic Matching.

Yusef G Ahmed, Gabe Gomes, Dean J Tantillo

|Dec 20, 2023
Autonomous chemical research with large language models.

Daniil A Boiko, Robert MacKnight, Ben Kline

|Dec 04, 2023
Applying Large Graph Neural Networks to Predict Transition Metal Complex Energies Using the tmQM_wB97MV Data Set.

Aaron G Garrison, Javier Heras-Domingo, John R Kitchin

|Jan 25, 2023
Data-science driven autonomous process optimization.

Melodie Christensen, Lars P E Yunker, Folarin Adedeji

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Frequent Collaborators

17 joint publications

Igor V Alabugin

4 joint publications

Robert Pollice

4 joint publications

Alán Aspuru-Guzik

4 joint publications

Alexander O Terent'ev