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A surface hopping algorithm for nonadiabatic minimum energy path calculations.
Igor Schapiro
Daniel Roca-Sanjuán
Roland Lindh
Massimo Olivucci
Published in:
J. Comput. Chem. (2015)
Keyphrases
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minimum energy
learning algorithm
detection algorithm
computational complexity
k means
np hard
dynamic programming
expectation maximization
access control
optimal path
triangular mesh
surface fitting