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Liquid Water: Obtaining the Right Answer for the Right Reasons

Apra, Edoardo; Harrison, Robert J.; deJong, Wibe A.; Rendell, Alistair; Tipparaju, Vinod; Xantheas, Sotiris S.


Water is ubiquitous on our planet and plays an essential role in several key chemical and biological processes. Accurate models for water are crucial in understanding, controlling and predicting the physical and chemical properties of complex aqueous systems. Over the last few years we have been developing a molecular-level based approach for a macroscopic model for water that is based on the explicit description of the underlying intermolecular interactions between molecules in water clusters....[Show more]

CollectionsANU Research Publications
Date published: 2009
Type: Book chapter
Book Title: Proceedings of the Conference on High Performance Computing Networking, Storage and Analysis
DOI: 10.1145/1654059.1654127


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