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XtalOpt Version r12: An open-source evolutionary algorithm for crystal structure prediction.
Patrick Avery
Cormac Toher
Stefano Curtarolo
Eva Zurek
Published in:
Comput. Phys. Commun. (2019)
Keyphrases
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evolutionary algorithm
open source
multi objective
differential evolution
prediction accuracy
genetic programming
databases
neural network
prediction error
database
multi objective optimization
prediction model
source code
optimization problems
simulated annealing
search space
website
machine learning