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Solving Chemical Problems with a Mixture of Quantum‐Mechanical and Molecular Mechanics Calculations: Nobel Prize in Chemistry 2013
Author(s) -
Groenhof Gerrit
Publication year - 2013
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.201309174
Subject(s) - quantum chemistry , chemistry , nanotechnology , materials science , molecule , organic chemistry , supramolecular chemistry , green chemistry
The significance of computer simulations in such varied fields as chemistry, biophysics, structural biology, and materials science is emphasized by the award of the Nobel Prize in Chemistry 2013 to three of the most important pioneers of computational chemistry. Computer simulations are widely used today to interpret experimental results, to test hypotheses, and as inspiration for experiments.