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Rafael Gomez-Bombarelli

Jeffrey Cheah Career Development Chair and Associate Professor of Materials Science and Engineering, Department of Materials Science and Engineering

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Machine Learning

Rafael Gomez-Bombarelli is the Associate Professor of Materials Science and Engineering and the Jeffrey Cheah Career Development Chair in MIT’s Department of Materials Science and Engineering. Gomez-Bombarelli is interested in fusing machine learning and atomistic simulations for designing materials and their transformations. His group works across molecular, crystalline and polymer matter, combining novel computational tools in optimization, inverse design, surrogate modeling and active learning with simulation approaches like quantum chemistry and molecular dynamics. Through collaborations at MIT and beyond, his group helps develop new practical materials such as therapeutic peptides, organic electronics for displays, electrolytes for batteries, and oxides for sustainably catalysis. Gomez-Bombarelli’s work has been featured in the MIT Technology Review and Wall Street Journal. He also co-founded Calculario, a materials discovery company that leverages quantum chemistry and machine learning to target advanced materials in high-value markets. He earned a BS, MS, and PhD in chemistry from Universidad de Salamanca, followed by postdoctoral work at Heriot-Watt University and Harvard University.

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