PySEQM 2.0: Accelerated Semiempirical Excited State Calculations on Graphical Processing Units

Fuente: arXiv
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Bibliographic Details
Main Authors: Athavale, Vishikh, Fedik, Nikita, Colglazier, William, Niklasson, Anders M. N., Kulichenko, Maksim, Tretiak, Sergei
Format: Preprint
Published: 2025
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