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SimplySQS: An automated and reproducible workflow for special quasirandom structure generation with ATAT

Miroslav Lebeda, Jan Drahokoupil, Petr Vlcák, Simon Svoboda, Axel van de Walle. SimplySQS: An automated and reproducible workflow for special quasirandom structure generation with ATAT. J. Comput. Science, 96:102846, 2026. [doi]

Authors

Miroslav Lebeda

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Jan Drahokoupil

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Petr Vlcák

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Simon Svoboda

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Axel van de Walle

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