Roberto Car and Michele ParrinelloRoberto Car, Department of Chemistry, Princeton
University
Michele Parrinello, Swiss Federal Institute of
Technology (ETH Zurich)
The 2009 Dirac Medal recognizes the joint contributions of Roberto
Car and Michele Parrinello in developing the ab initio simulation
method in which they combined, elegantly and imaginatively, the
quantum mechanical density functional method for the calculation of
the electronic properties of matter with molecular dynamics methods
for the Newtonian simulation of atomic motions. The Car-Parrinello
method has had an enormous impact, joining together the fields of
simulation and of electronic structure theory, and has given rise
to a variety of applications well beyond condensed matter
physics.
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