4.5 Article

Instantaneous Liquid Interfaces

Journal

JOURNAL OF PHYSICAL CHEMISTRY B
Volume 114, Issue 5, Pages 1954-1958

Publisher

AMER CHEMICAL SOC
DOI: 10.1021/jp909219k

Keywords

-

Funding

  1. Director, Office of Science, Office of Basic Energy Sciences, Chemical Sciences, Geosciences
  2. Biosciences Division, U.S. Department of Energy [DE-AC02-05CH11231]
  3. National Institute of Health [R01 GM079102]

Ask authors/readers for more resources

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.

Authors

I am an author on this paper
Click your name to claim this paper and add it to your profile.

Reviews

Primary Rating

4.5
Not enough ratings

Secondary Ratings

Novelty
-
Significance
-
Scientific rigor
-
Rate this paper

Recommended

No Data Available
No Data Available