The Interfacial Behavior Of Liquid Water Near Hydrophobic
Surfaces: A Parallel Force Decomposition Molecular Dynamics Code
Author(s)
P. M. Alsing, E. Coutsias and J. Mclver
Abstract
The interfacial behavior of liquid
water near hydrophobia surfaces: a
parallel force decomposition molecular
dynamics code
Paul M. Alsing*, Evangelos Coutsias^, & John
* Albuquerque High Performance Computing Center
^Department of Mathematics and Statistics
^ Department of Physics and Astronomy
University of New Mexico, Albuquerque, NM, USA
Abstract
A parallel force decomposition algorithm of Plimpton [1] has been imple-
mented 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 50^ water molecules. The
physics we wish to explore is briefly discussed.
1 Introduction
The important properties of water stem from its unique structure and
the way this structure allows water to interact with electrically charged
molecules. Such properties are thought to arise from the ability of water
to form tetrahedrally coordinated hydrogen bonds. Wat
Keywords
Related Book
Other papers in this volume
Warning (2)
: foreach() argument must be of type array|object, null given [in
/var/www/dce7ae55-385b-4ffa-8595-3ec5e61ff110/public_html/app/templates/Papers/view.php, line
364]
Code
$counter = '0';
foreach ($paper['book']['Paper'] as $otherPaper) {
if ((!empty($otherPaper['name'])) && ($counter < '7') && ($otherPaper['available'] == 1)) {
Cake\Error\ErrorTrap->handleError() /var/www/dce7ae55-385b-4ffa-8595-3ec5e61ff110/public_html/app/templates/Papers/view.php, line 364
/var/www/dce7ae55-385b-4ffa-8595-3ec5e61ff110/public_html/app/vendor/cakephp/cakephp/src/View/View.php /var/www/dce7ae55-385b-4ffa-8595-3ec5e61ff110/public_html/app/vendor/cakephp/cakephp/src/View/View.php, line 1188
Cake\View\View->_evaluate() /var/www/dce7ae55-385b-4ffa-8595-3ec5e61ff110/public_html/app/vendor/cakephp/cakephp/src/View/View.php, line 1145
Cake\View\View->_render() /var/www/dce7ae55-385b-4ffa-8595-3ec5e61ff110/public_html/app/vendor/cakephp/cakephp/src/View/View.php, line 785
Cake\View\View->render() /var/www/dce7ae55-385b-4ffa-8595-3ec5e61ff110/public_html/app/vendor/cakephp/cakephp/src/Controller/Controller.php, line 712
Cake\Controller\Controller->render() /var/www/dce7ae55-385b-4ffa-8595-3ec5e61ff110/public_html/app/vendor/cakephp/cakephp/src/Controller/Controller.php, line 516
Cake\Controller\Controller->invokeAction() /var/www/dce7ae55-385b-4ffa-8595-3ec5e61ff110/public_html/app/vendor/cakephp/cakephp/src/Controller/ControllerFactory.php, line 166
Cake\Controller\ControllerFactory->handle() /var/www/dce7ae55-385b-4ffa-8595-3ec5e61ff110/public_html/app/vendor/cakephp/cakephp/src/Controller/ControllerFactory.php, line 141
Cake\Controller\ControllerFactory->invoke() /var/www/dce7ae55-385b-4ffa-8595-3ec5e61ff110/public_html/app/vendor/cakephp/cakephp/src/Http/BaseApplication.php, line 362
Cake\Http\BaseApplication->handle() /var/www/dce7ae55-385b-4ffa-8595-3ec5e61ff110/public_html/app/vendor/cakephp/cakephp/src/Http/Runner.php, line 86
Cake\Http\Runner->handle() /var/www/dce7ae55-385b-4ffa-8595-3ec5e61ff110/public_html/app/vendor/cakephp/cakephp/src/Http/Middleware/CsrfProtectionMiddleware.php, line 169
Cake\Http\Middleware\CsrfProtectionMiddleware->process() /var/www/dce7ae55-385b-4ffa-8595-3ec5e61ff110/public_html/app/vendor/cakephp/cakephp/src/Http/Runner.php, line 82
Cake\Http\Runner->handle() /var/www/dce7ae55-385b-4ffa-8595-3ec5e61ff110/public_html/app/vendor/cakephp/cakephp/src/Http/Middleware/BodyParserMiddleware.php, line 157
Cake\Http\Middleware\BodyParserMiddleware->process() /var/www/dce7ae55-385b-4ffa-8595-3ec5e61ff110/public_html/app/vendor/cakephp/cakephp/src/Http/Runner.php, line 82
Cake\Http\Runner->handle() /var/www/dce7ae55-385b-4ffa-8595-3ec5e61ff110/public_html/app/vendor/cakephp/cakephp/src/Routing/Middleware/RoutingMiddleware.php, line 118
Cake\Routing\Middleware\RoutingMiddleware->process() /var/www/dce7ae55-385b-4ffa-8595-3ec5e61ff110/public_html/app/vendor/cakephp/cakephp/src/Http/Runner.php, line 82
Cake\Http\Runner->handle() /var/www/dce7ae55-385b-4ffa-8595-3ec5e61ff110/public_html/app/vendor/cakephp/cakephp/src/Routing/Middleware/AssetMiddleware.php, line 69
Cake\Routing\Middleware\AssetMiddleware->process() /var/www/dce7ae55-385b-4ffa-8595-3ec5e61ff110/public_html/app/vendor/cakephp/cakephp/src/Http/Runner.php, line 82
Cake\Http\Runner->handle() /var/www/dce7ae55-385b-4ffa-8595-3ec5e61ff110/public_html/app/vendor/cakephp/cakephp/src/Error/Middleware/ErrorHandlerMiddleware.php, line 115
Cake\Error\Middleware\ErrorHandlerMiddleware->process() /var/www/dce7ae55-385b-4ffa-8595-3ec5e61ff110/public_html/app/vendor/cakephp/cakephp/src/Http/Runner.php, line 82
Cake\Http\Runner->handle() /var/www/dce7ae55-385b-4ffa-8595-3ec5e61ff110/public_html/app/vendor/cakephp/debug_kit/src/Middleware/DebugKitMiddleware.php, line 60
DebugKit\Middleware\DebugKitMiddleware->process() /var/www/dce7ae55-385b-4ffa-8595-3ec5e61ff110/public_html/app/vendor/cakephp/cakephp/src/Http/Runner.php, line 82
Cake\Http\Runner->handle() /var/www/dce7ae55-385b-4ffa-8595-3ec5e61ff110/public_html/app/vendor/cakephp/cakephp/src/Http/Runner.php, line 60
Cake\Http\Runner->run() /var/www/dce7ae55-385b-4ffa-8595-3ec5e61ff110/public_html/app/vendor/cakephp/cakephp/src/Http/Server.php, line 104
Cake\Http\Server->run() /var/www/dce7ae55-385b-4ffa-8595-3ec5e61ff110/public_html/app/webroot/index.php, line 37
[main]
