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Knowledge-Based Optimization of Molecular Geometries Using Crystal Structures.
Jason C. Cole
Colin R. Groom
Oliver Korb
Patrick McCabe
Gregory P. Shields
Published in:
J. Chem. Inf. Model. (2016)
Keyphrases
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discrete optimization
global optimization
optimization method
molecular structure
optimization algorithm
real world
particle swarm optimization
optimization process
joint optimization
decision trees
multiscale
expert systems
cost function
combinatorial optimization
optimization methods
dna computing