Instantaneous Liquid Interfaces

Adam P. Willard; David Chandler

doi:10.1021/jp909219k

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arXiv · 0909.4761

Instantaneous Liquid Interfaces

Adam P. Willard·David Chandler

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Abstract

We describe and illustrate a simple procedure for identifying a liquid interface from atomic coordinates. In particular, a coarse grained density field is constructed, and the interface is defined as a constant density surface for this coarse grained field. In applications to a molecular dynamics simulation of liquid water, it is shown that this procedure provides instructive and useful pictures of liquid-vapor interfaces and of liquid-protein interfaces.

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Adam P. Willard, David Chandler. 2009-09-25. Instantaneous Liquid Interfaces. https://doi.org/10.1021/jp909219k

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