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个人简介
Dr. Gomez-Bombarelli’s research trajectory has evolved from experimental mechanistic studies of organic molecules with emphasis on environmental toxicity to computer-driven design of molecular materials. By combining first-principles simulation with machine learning on theoretical and experimental datasets he aims to accelerate the discovery cycle of novel practical materials.
Through his research at MIT he plans to address the role of molecular transformation in materials discovery, in areas such as catalyst design, the environmentally-minded development of novel and replacement chemicals, and designing for stability in advanced materials.
Rafa's work has been featured in journals such as Technology Review and the Wall Street Journal. He was also co-founder of Calculario, a materials discovery company that leverages quantum chemistry and machine learning to target advanced materials in a range of high-value markets.
Through his research at MIT he plans to address the role of molecular transformation in materials discovery, in areas such as catalyst design, the environmentally-minded development of novel and replacement chemicals, and designing for stability in advanced materials.
Rafa's work has been featured in journals such as Technology Review and the Wall Street Journal. He was also co-founder of Calculario, a materials discovery company that leverages quantum chemistry and machine learning to target advanced materials in a range of high-value markets.
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Elton Pan,Soonhyoung Kwon,Zach Jensen, Mingrou Xie,Rafael Gomez-Bombarelli,Manuel Moliner, Yuriy Roman-Leshkov,Elsa Olivetti
ACS CENTRAL SCIENCEno. 3 (2024): 729-743
Nicholas L. Truex,Somesh Mohapatra,Mariane Melo,Jacob Rodriguez,Na Li,Wuhbet Abraham, Deborah Sementa,Faycal Touti,Derin B. Keskin,Catherine J. Wu,Darrell J. Irvine,Rafael Gomez-Bombarelli,
ACS CENTRAL SCIENCE (2024)
Physical Review Materialsno. 3 (2024)
An MIT Exploration of Generative AI From Novel Chemicals to Opera (2024)
Soonhyoung Kwon,Estefania Bello-Jurado, Evgeniia Ikonnikova, Hwajun Lee,Daniel Schwalbe-Koda,Avelino Corma,Tom Willhammar,Elsa A. Olivetti,Rafael Gomez-Bombarelli,Manuel Moliner, Yuriy Roman-Leshkov
Soonhyoung Kwon,Estefanía Bello-Jurado, Evgeniia Ikonnikova, Hwajun Lee,Daniel Schwalbe-Koda,Avelino Corma,Tom Willhammar,Elsa A Olivetti,Rafael Gomez-Bombarelli,Manuel Moliner, Yuriy Román-Leshkov
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