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A bridge between trust and control: computational workflows meet automated battery cycling.
J Mater Chem A Mater. 2024 Apr 3;12(18):10773-10783. doi: 10.1039/d3ta06889g. eCollection 2024 May 8.
J Mater Chem A Mater. 2024.
PMID: 38725523
Free PMC article.
Uncoupling system and environment simulation cells for fast-scaling modeling of complex continuum embeddings.
Medrano G, Bainglass E, Andreussi O.
Medrano G, et al. Among authors: bainglass e.
J Chem Phys. 2023 Aug 7;159(5):054103. doi: 10.1063/5.0150298.
J Chem Phys. 2023.
PMID: 37526159
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