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PWDFT.jl: A Julia package for electronic structure calculation using density functional theory and plane wave basis.
Fadjar Fathurrahman
Mohammad Kemal Agusta
Adhitya Gandaryus Saputro
Hermawan Kresno Dipojono
Published in:
Comput. Phys. Commun. (2020)
Keyphrases
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databases
three dimensional
theoretical basis
functional properties
data sets
hierarchical structure
general theory
real time
machine learning
bayesian networks
computational model
mathematical theory
formal theory