LAQV REQUIMTE
My LAQV

(Chemical) Bonding is what makes life possible

José Ferraz-Caetano

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jose.caetano@fc.up.pt
Webpages
Personal webpage
Lab webpage
CV

Research group
High Performance Computing in Molecular Modelling

Position
PhD student

ORCID0000-0001-7226-8995
Ciência ID5819-BF43-B9F2
José Ferraz-Caetano is a chemist and historian with a degree in Chemistry and master's degrees in Chemistry and Contemporary History. He has a PhD scholarship from the MIT-Portugal Program at the LAQV-REQUIMTE Laboratory, University of Porto, where he develops Data Science and Artificial Intelligence (AI) methods to predict chemical properties and reactions. He was a visiting researcher at the Department of Chemical Engineering at MIT (USA) in the field of AI and a Fulbright scholar at the University of California, Irvine (USA) on a project about disinformation and scientific knowledge. José has also collaborated with the Institute of Contemporary History at the University of Évora, focusing on the role of chemistry in scientific regulation, actively participating in organizations such as the SPQ History of Chemistry Group, the International Younger Chemists Network and the European Society for the History of Science.
Check out my personal website: https://www.jfcaetano.com

Representative Publications

The Artificial Intelligence Explanatory Trade-Off on the Logic of Discovery in Chemistry
10.3390/philosophies8020017
Navigating epoxidation complexity: building a data science toolbox to design vanadium catalysts
10.1039/d3nj05784d
Systematic Development of Vanadium Catalysts for Sustainable Epoxidation of Small Alkenes and Allylic Alcohols
10.3390/ijms241512299
Data-Driven, Explainable Machine Learning Model for Predicting Volatile Organic Compounds’ Standard Vaporization Enthalpy
10.1016/j.chemosphere.2024.142257
Explainable Supervised Machine Learning Model To Predict Solvation Gibbs Energy
10.1021/acs.jcim.3c00544