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DOE OSTI · 1888189

Quantum-based Molecular Dynamics using Deep Neural Networks and AI Hardware

Niklasson, Anders Mauritz·Finkelstein, Joshua David·Negre, Christian Francisco Andres
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MathematicsMolecular Dynamics, AI hardware, tensor cores, electronic structure theory

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Niklasson, Anders Mauritz, Finkelstein, Joshua David, Negre, Christian Francisco Andres. 2022-09-16. Quantum-based Molecular Dynamics using Deep Neural Networks and AI Hardware. https://www.osti.gov/biblio/1888189

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