Samuel Blau
Research Scientist

Dr. Samuel M. Blau is a Research Scientist at Berkeley Lab working at the intersection of computational chemistry, materials science, high-performance computing, and machine learning. He received his B.S. in 2012 from Haverford College and his Ph.D. in Chemical Physics from Harvard University in 2017. Sam has pioneered the use of self-correcting molecular simulation workflows to enable the construction of chemical reaction networks describing complex reaction cascades, e.g. those responsible for battery interphase formation and photoresist patterning. Sam's research group also develops novel datasets, representations, and models for machine learning of chemistry and materials as well as methods that leverage ML model speed and differentiability for accelerated scientific discovery.