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ForceFit: A code to fit classical force fields to quantum mechanical potential energy surfaces.
Benjamin Waldher
Jadwiga Kuta
Samuel Chen
Neil J. Henson
Aurora E. Clark
Published in:
J. Comput. Chem. (2010)
Keyphrases
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quantum mechanics
quantum computation
source code
free form
data sets
three dimensional
energy consumption
minimum energy
artificial intelligence
d objects
energy saving
force field
digital topology
electrical power
quantum probability