Development of Multiscale Models for Complex Chemical Systems: From H+H2 to Biomolecules (Nobel Lecture)1. Issue 38 (27th July 2014) - Karplus, Martin
Abstract Although the laws governing the motions of atoms are quantum mechanical, the key realization that made possible the simulation of the dynamics of complex systems, including biomolecules, was that a classical mechanical description of the atomic motions is adequate in most cases. From M. Karplus' own perspective, this realization was derived from calculations on the symmetric exchange reaction, H+H2→H2+H.