Abstract
Two decades of computer simulation studies on water and aqueous solutions have immensely broadened our knowledge about this ubiquitous but nonetheless unusual liquid. Perhaps most remarkable is the fact that it is now possible to reproduce, in a molecular dynamics (MD) simulation, a wide range of measurable properties of water, from thermodynamics to structure and microdynamics, particularly most—if not all—of its numerous ‘anomalies’. This confirms that the MD simulations reproduce ‘real water’ and encourages one to use the simulations to examine features that are not directly measurable, but of central importance for the understanding of water, like the hydrogen bond network.
Lecture notes prepared by Sharon Glotzer and Peter H. Poole.
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Geiger, A. (1990). Molecular Dynamics Simulation of Water. In: Stanley, H.E., Ostrowsky, N. (eds) Correlations and Connectivity. NATO ASI Series, vol 188. Springer, Dordrecht. https://doi.org/10.1007/978-94-009-2157-3_16
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DOI: https://doi.org/10.1007/978-94-009-2157-3_16
Publisher Name: Springer, Dordrecht
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