[discuss ifpsc] Re: Forcefield database proposal resulting from our

Forwarding this to the discuss-IFPSC list so it will be in the archives

---------- Forwarded message ----------
From: Kerwin D Dobbs
Date: Aug 14, 2007 8:21 AM
Subject: [ifpsc] Re: Forcefield database proposal resulting from our
To: ifpsc@xxxxxxxxxxxxx
Cc: huaisun@xxxxxxxxxxx


I, too, agree with the comments of Jonathan, Eric, and Ray with
regards to Huai's proposal. Whether it was coincidence or just
the obvious nature of the problem, Huai has captured the essence
of what we would like to see accomplished in the development and
maintenance of forcefield parameters.

This proposal should be funded through some type of grant mechanism,
but from where that grant money will come is up in the air. If I
read the header of his proposal correctly, Huai is at a university
in China but is somehow connected to a San Diego company (Aeon
Technology) which appears to actually be an Asian company with a
U.S. office. So, are there granting agencies in China (or Asia in
general) which would support his research? Are there U.S. grant
mechanisms which would support such an "international" research
effort? One mechanism that DuPont has to support such a research
effort is through a one-year Science & Engineering grant with a
maximum award of $40K, but, like most grants, this is a competitive
award with only a few getting the maximum amount. Nominations for
the academic 2007-2008 have been long closed, but nominations for
the next academic year (2008-2009) will open next February.

Once a web-based forcefield repository is established, I am quite
certain that it will NOT be able to survive as a fee-based site
even if there is demonstrated value. There are other open projects
that have managed to survive and thrive, and we need to learn what
we can from them to see what may work for this FF effort.

Just to re-iterate what Jonathan has said, I would only support
such a FF repository if it was open and maintained by the user
community.

Kerwin

ifpsc-bounce@xxxxxxxxxxxxx wrote on 08/08/2007 06:47:43 AM:

> In general, I concur with Jonathan on his perspectives on the
> financial model for the site having wrestled with this business model
> as well.
>
> If the site is too expensive, the potential users will simply not use
> it or go into the literature themselves.
>
> I would support, and even be willing to find a way to assist, in the
> development of a website that would support open contributions and
> access to the FF parameters.
>
> I also agree with Jonathan and believe that small funded projects or
> grants would be a good way to get the site up and running and
> populated with content.
>
> Granted, there are fixed costs associated with hosting a website that
> need to be covered, and perhaps this is where industry/IFPSC support
> should be targeted - in order to maintain free access for all.
>
> I'm not convinced there is a viable model long-term for a fee-based
> site until there is a demonstrated value.
>
> -ES
>


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