Bengt Nyman · CC BY 2.0

An Austrian-American theoretical chemist who helped found computational chemistry, developing the multiscale models that let researchers simulate how large, complex molecules like proteins actually behave — work that turned chemistry from something done purely at the bench into something also done on a computer. He shared the 2013 Nobel Prize in Chemistry with Michael Levitt and Arieh Warshel for the achievement, and spent much of his career as a professor at Harvard.