Martin Karplus, a theoretical chemist, passed away at age 94, leaving behind a legacy of advancements in understanding complex chemical reactions through theoretical modeling and computational methods.
Theoretical chemistry, as illustrated by Karplus's work, provides insight into the mysterious processes occurring during chemical reactions, akin to watching the narrative unfold in a dramatic play.
Beginning in the 1960s, with limited computational power, Karplus and his collaborators utilized virtual models of molecules to elucidate the intricate mechanisms of chemical and biological reactions.
Their research combined classical and quantum physics, enabling scientists to predict the movements of atoms and the formation and breaking of chemical bonds during reactions.
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