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AQME: Automated quantum mechanical environments for researchers and educators

by Alegre‐Requena, Juan V., Sowndarya S. V., Shree, Pérez‐Soto, Raúl, Alturaifi, Turki M., Paton, Robert S.
Published in WIREs Computational Molecular Science (2023)
“... computational protocols, data, and metadata for machine and human users to access and reuse. AQME has a modular...”

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