Quantum-informed simulations for mechanics of materials: DFTB+MBD framework

Fuente: arXiv
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Bibliographic Details
Main Authors: Shen, Zhaoxiang, Sosa, Raúl I., Bordas, Stéphane P. A., Tkatchenko, Alexandre, Lengiewicz, Jakub
Format: Preprint
Published: 2024
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