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Development of Multiscale Models for Complex Chemical Systems: From H+H 2 to Biomolecules (Nobel Lecture)
Author(s) -
Karplus Martin
Publication year - 2014
Publication title -
angewandte chemie international edition
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 5.831
H-Index - 550
eISSN - 1521-3773
pISSN - 1433-7851
DOI - 10.1002/anie.201403924
Subject(s) - realization (probability) , perspective (graphical) , computer science , biomolecule , key (lock) , quantum , service (business) , nanotechnology , chemistry , physics , materials science , artificial intelligence , mathematics , quantum mechanics , statistics , computer security , economy , economics
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+H 2 →H 2 +H.