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PyCDT: A Python toolkit for modeling point defects in semiconductors and insulators.
Danny Broberg
Bharat Medasani
Nils E. R. Zimmermann
Guodong Yu
Andrew Canning
Maciej Haranczyk
Mark Asta
Geoffroy Hautier
Published in:
Comput. Phys. Commun. (2018)
Keyphrases
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relational databases
object oriented
data sets
databases
neural network
genetic algorithm
data structure
probabilistic model
modeling framework