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Professor Gómez-Bombarelli’s research trajectory evolved from doctoral work in experimental physical organic chemistry to computer-driven design of materials, fusing physics-based atomistic simulation with machine learning models. His efforts aim to accelerate the discovery cycle of novel practical materials. His research interests focus on understanding how composition, structure, and reactivity at the atomic scale relate to the performance of materials. By harnessing design rules, his research group works on the discovery of materials pertaining to energy, sustainability, and health care, including thermo- and electro-catalysts, organic/inorganic battery materials, sustainable polymers, and photoswitchable drugs. Professor Gómez-Bombarelli received a Bachelor of Science, Master of Science, and Ph.D. in Chemistry from the University of Salamanca in Spain, followed by postdoctoral work at Heriot-Watt University in Scotland and the Aspuru-Guzik lab at Harvard University, where he worked on high-throughput virtual screening of organic light-emitting diode (OLED) battery electrolytes. He entered the industry in 2016 as a senior researcher at a Japanese technology company, Kyulux, applying Harvard-licensed technology to build commercial OLED products, before joining the DMSE faculty in 2018. His work has been featured in publications such as MIT Technology Review and Wall Street Journal, and he is a co-founder of Calculario, a materials discovery company that utilizes quantum chemistry and machine learning to target advanced materials across various high-value markets.
Massachusetts Institute of Technology • Cambridge, MA
Teaching and conducting research in the field of materials science and engineering.