The theory of analyzing the models for complex chemical systems was initiated and proposed by Karplus and was supported by other two scientists. Modern technology boosted their work later in between 1990s and 2010 and their 'on paper theory' changed into realistic computer models. These computer models, were made to combine the strong and weak points of classical and Newtonian mechanics .
The chemists find impossible enough to explain chemical reactions with the theory of Newtonian mechanics due to the limitations at the particle level, they feel it decently easy to do the same while switching the same to Quantum Mechanics, on the other hand. Karplus and Levitt where determined to combine these two physics branches and they started the public work for it in 1976 by creating an enzyme reaction related computer model. After the computing powers of modern computers were increased, the work of Nobel Prize winner increased and they created and studied several interesting simulations. These computerized models were great enough for the trio to win them a Nobel.