Solubility-consistent force field simulations for aqueous metal carbonate systems using graphical processing units

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Solubility-consistent force field simulations for aqueous metal carbonate systems using graphical processing units

Crystallization of alkaline earth metal carbonates from water is important for biomineralization and environmental geochemistry. Here, large-scale computer simulations are a useful approach to complement experimental studies by providing atomistic insights and even by quantitatively determining the...

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Bibliographic Details
Main Authors:	Armstrong, B., Silvestri, A., Demichelis, Raffaella, Raiteri, Paolo, Gale, Julian
Format:	Journal Article
Language:	English
Published:	2023
Subjects:	alkaline earth carbonates force field graphical processing unit molecular dynamics
Online Access:	http://purl.org/au-research/grants/arc/DP160100677 http://hdl.handle.net/20.500.11937/94719

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