Designing New Energy Materials with Machine Learning with Rafael Gomez-Bombarelli - #558

Today we’re joined by Rafael Gomez-Bombarelli, an assistant professor in the department of material science and engineering at MIT. In our conversation with Rafa, we explore his goal of ​​fusing machine learning and atomistic simulations for designing materials, a topic he spoke about at the recent SigOpt AI & HPC Summit. We discuss the two ways in which he thinks of material design, virtual screening and inverse design, as well as the unique challenges each technique presents. We also talk …

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