Towards Routine Condensed Phase Simulations with Delta-Learned Coupled Cluster Accuracy: Application to Liquid Water

Fuente: arXiv
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Bibliographic Details
Main Authors: O'Neill, Niamh, Shi, Benjamin X., Baldwin, William, Witt, William C., Csányi, Gábor, Gale, Julian D., Michaelides, Angelos, Schran, Christoph
Format: Preprint
Published: 2025
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