The interfacial behavior of liquid water near hydrophobia surfaces: A parallel force decomposition molecular dynamics code

Paul M. Alsing; Evangelos Coutsias; John McIver

The interfacial behavior of liquid water near hydrophobia surfaces: A parallel force decomposition molecular dynamics code

Paul M. Alsing
, Evangelos Coutsias
, John McIver

Applied Mathematics and Statistics

Albuquerque High Perf. Comp. Center
University of New Mexico

Research output: Contribution to journal › Conference article › peer-review

Abstract

A parallel force decomposition algorithm of Plimpton has been implemented for the study of the interfacial behavior of water near extended hydrophobic surfaces. The algorithm is described in detail and timings and scalability are reported for simulations up to 503 water molecules. The physics we wish to explore is briefly discussed.

Original language	English
Pages (from-to)	81-90
Number of pages	10
Journal	Advances in High Performance Computing
Volume	6
State	Published - 2000
Event	Sixth International Conference on Applications of High-Performance Computers in Engineering - Maui, HA, United States Duration: Jan 26 2000 → Jan 28 2000

Cite this

@article{ac3afb8c7b3944cc97150fe548c97a65,

title = "The interfacial behavior of liquid water near hydrophobia surfaces: A parallel force decomposition molecular dynamics code",

abstract = "A parallel force decomposition algorithm of Plimpton has been implemented for the study of the interfacial behavior of water near extended hydrophobic surfaces. The algorithm is described in detail and timings and scalability are reported for simulations up to 503 water molecules. The physics we wish to explore is briefly discussed.",

author = "Alsing, \{Paul M.\} and Evangelos Coutsias and John McIver",

year = "2000",

language = "English",

volume = "6",

pages = "81--90",

journal = "Advances in High Performance Computing",

issn = "1368-7638",

note = "Sixth International Conference on Applications of High-Performance Computers in Engineering ; Conference date: 26-01-2000 Through 28-01-2000",

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TY - JOUR

T1 - The interfacial behavior of liquid water near hydrophobia surfaces

T2 - Sixth International Conference on Applications of High-Performance Computers in Engineering

AU - Alsing, Paul M.

AU - Coutsias, Evangelos

AU - McIver, John

PY - 2000

Y1 - 2000

N2 - A parallel force decomposition algorithm of Plimpton has been implemented for the study of the interfacial behavior of water near extended hydrophobic surfaces. The algorithm is described in detail and timings and scalability are reported for simulations up to 503 water molecules. The physics we wish to explore is briefly discussed.

AB - A parallel force decomposition algorithm of Plimpton has been implemented for the study of the interfacial behavior of water near extended hydrophobic surfaces. The algorithm is described in detail and timings and scalability are reported for simulations up to 503 water molecules. The physics we wish to explore is briefly discussed.

UR - https://www.scopus.com/pages/publications/2942563886

M3 - Conference article

AN - SCOPUS:2942563886

SN - 1368-7638

VL - 6

SP - 81

EP - 90

JO - Advances in High Performance Computing

JF - Advances in High Performance Computing

Y2 - 26 January 2000 through 28 January 2000

ER -

The interfacial behavior of liquid water near hydrophobia surfaces: A parallel force decomposition molecular dynamics code

Abstract

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