Atomic Cluster Expansion for Quantum-Accurate Large-Scale Simulations of Carbon

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journal：Journal of Chemical Theory and Computation

Authors：Minaam Qamar; Matous Mrovec; Yury Lysogorskiy; Anton Bochkarev; Ralf Drautz

Published date：2023-8-8

DOI：10.1021/acs.jctc.2c01149

PDF link：https://pubs.acs.org/doi/pdf/10.1021/acs.jctc.2c01149

Article link：https://doi.org/10.1021/acs.jctc.2c01149

Article Source：American Chemical Society (ACS)。

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