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The Relaxation of Molecular Crystal Structures Using a Distributed Multipole Electrostatic Model.
David J. Willock
Sally L. Price
Maurice Leslie
C. Richard A. Catlow
Published in:
J. Comput. Chem. (1995)
Keyphrases
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objective function
conceptual model
computational model
distributed environment
experimental data
statistical model
distributed systems
database
mathematical model
peer to peer
prediction model
parameter estimation
prior knowledge
cooperative
reinforcement learning
genetic algorithm
real time