[discuss ifpsc] Re: discuss IFPSC
- From: Phillip R Westmoreland <westm@xxxxxxxxxxxxx>
- To: discuss-ifpsc@xxxxxxxxxxxxx
- Date: Sun, 04 Nov 2007 11:00:33 -0700
In the general statement:
"The Industrial Fluid Properties Simulation Collective is an international
collaboration between industry, academia, and national labs aimed facilitating and
promoting the use of molecular simulation methods for the prediction of fluid
properties."
we sell the field short by expressing a restriction to "molecular simulation methods". True,
parsing the words "molecular simulation" includes any kind of simulation, yet conventionally,
methods and results based on computational quantum chemistry are not part of the field of "Molecular
Simulation". Even within the conventional definition, quantum chemistry is increasingly used to develop
and improve forcefields.
I would prefer that the statement of purpose explicitly widens the purview to "the
use of molecular modeling and simulation methods for the prediction of fluid
properties."
Even better, I'd prefer that we modefied the name to the more accurate "Industrial
Fluid Properties Prediction Collective" because, as the statement of purpose
emphasizes, prediction is our goal...Phil
--
Prof. Phillip R. Westmoreland
Dept of Chemical Engineering, Univ of Massachusetts Amherst
157A Goessmann; 686 N Pleasant; Amherst MA 01003-9303
413-545-1750 (Sect'y at -2507), eFAX 775-254-2509
http://www.ecs.umass.edu/che/faculty/westmoreland.html
[July 06-June 08:
Program Director for Combustion, Fire, and Plasma Systems
National Science Foundation
4201 Wilson Blvd, Arlington VA 22230
703-292-8695; FAX 703-292-9054 ]
========================================================
The Industrial Fluid Properties Simulation Collective is an international
collaboration between industry, academia, and national labs aimed facilitating
and promoting the use of molecular simulation methods for the prediction of
fluid properties.
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