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Ab initio machine-learning simulation of calcium carbonate from aqueous solutions to the solid state.

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第一作者： Pablo M,Piaggi

第一单位： CIC nanoGUNE BRTA, Donostia-San Sebastián 20018, Spain.;Ikerbasque, Basque Foundation for Science, Ikerbasque, Bilbao 48013, Spain.

作者： Pablo M,Piaggi ^[1] ; Julian D,Gale ^[2] ; Paolo,Raiteri ^[2]

作者单位： CIC nanoGUNE BRTA, Donostia-San Sebastián 20018, Spain.;Ikerbasque, Basque Foundation for Science, Ikerbasque, Bilbao 48013, Spain. ^[1] School of Molecular and Life Sciences, Curtin University, Perth, WA 6845, Australia. ^[2]

关键词 aqueous solutions calcium carbonate density-functional theory machine learning molecular dynamics

DOI 10.1073/pnas.2415663122

PMID 41052335

发布时间 2025-10-24

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Proceedings of the National Academy of Sciences of the United States of America

2025年122卷41期

e2415663122页

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Proceedings of the National Academy of Sciences of the United States of America

2025年122卷41期

e2415663122页

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Ab initio machine-learning simulation of calcium carbonate from aqueous solutions to the solid state.

Proceedings of the National Academy of Sciences of the United States of America

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Proceedings of the National Academy of Sciences of the United States of America

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Ab initio machine-learning simulation of calcium carbonate from aqueous solutions to the solid state.

Proceedings of the National Academy of Sciences of the United States of America

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Proceedings of the National Academy of Sciences of the United States of America

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