Subject: 2nd Industrial Fluid Properties Simulation Challenge

From: Jan K Labanowski <jlabanow*at*nd.edu>
Date: Thu, 10 Jun 2004 13:22:47 -0500

Forwarded message:
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We are pleased to announce the Second Industrial Fluid Properties
Simulation Challenge (IFPSC). The second IFPSC will focus on prediction of
vapor pressures and heats of vaporization, gas solubility, and enthalpies
of mixing using molecular simulation techniques. The primary goal of the
Industrial Fluid Properties Simulation Challenge is to obtain an in-depth
and objective assessment of our current capabilities to predict
thermophysical properties of industrially challenging fluids using computer
simulation.  Details of the contest and results of the first challenge can
be found at the IFPSC website:
http://www.cstl.nist.gov/FluidSimulationChallenge/

You can register at the site as a participant, an observer, or express
interest in becoming one of the contest judges. We would also like to
invite you to join the FLUIDSIM email distribution list
(http://www.freelists.org/webpage/fluidsim) which has been created to keep
you updated about the latest news regarding the Challenge.  More details
about FLUIDSIM (including instructions for joining) and the steps taken to
protect the identities of its members are provided later in this email.

In order to limit the flux of unwanted information, the organizing
committee will provide all future communication about the Challenge through
the IFPSC website and by email updates to registered members of FLUIDSIM.
If you would like to stay in touch with the IFPSC activities, please
register at the website and/or join FLUIDSIM as soon as possible.

We hope you will consider your participation in the Challenge and find it
an interesting and useful event.

Sincerely,
IFPSC Organizing Committee

Questions and Answers about the Simulation Challenge and FLUIDSIM:

What are the prizes?

The current plan is as follows: For each of the three challenge problems,
$2500 will be awarded for first place, $1500 will be awarded for second,
and $1000 will be divided equally among all of the other entries that meet
the minimum requirements of the Challenge.  A special award of $1000 will
be given to "best-in-show," the entry that performs the best among those
that enter all three Challenge problems.  These plans are subject to change
at the discretion of the organizing committee.  For example, prizes may not
be awarded if the level of participation is extremely small (e.g., if there
are fewer valid entries than prizes for a particular problem) or if the
quality of competition is deemed to be especially poor (e.g., if all of the
entries for a problem are deemed to be of poor quality and not worthy of
special recognition).

What are the benefits of participating?

Participation in the Challenge gives you an opportunity to test your models
and methods on problems that have significant industrial relevance and for
which you don't know the answer ahead of time.  A special session at the
2004 AIChE annual meeting will be devoted to the Challenge and offers a
prime opportunity for you to highlight your work, as does the special
journal issue devoted to the reporting the results of the Challenge.  As
mentioned in the previous section, cash prizes will be awarded to all
entries that meet the minimum requirements of the Challenge.  Though the
organizing committee intends the Simulation Challenge to be a vehicle for
engagement between industry and the top practitioners in the field of
molecular simulation, it also represents a good opportunity for graduate
students to gain experience and exposure (and a cash prize).  If you are a
graduate student and are interested in any of these benefits, talk to your
advisor about entering the Challenge.  I!
 f you are a professor or group leader, you might consider using a problem
or problems from the Simulation Challenge to "initiate" new students to the
world of molecular simulation. If you are teaching a graduate course in
statistical mechanics, molecular modeling, molecular simulation, or another
closely related field, you might consider using the Simulation Challenge as
a group project for your students.

When are Challenge entries due?

Entries must be submitted no later than Friday, September 10, 2004.  The
results of the Challenge will be announced at a special session at the
AIChE annual meeting in Austin, TX, in November.

Who organizes the Challenge?

The competition is organized by scientists from 3M, BP, Case Scientific,
The Dow Chemical Company, DuPont, ExxonMobil, Mitsubishi Chemical, and the
National Institute of Standards and Technology.

Who can enter the Challenge?

The challenge is open to researchers from academia, government
laboratories, and industry not affiliated with the organizing committee.
Participants must register at the web site to ensure that their proposed
methodology is eligible.  There are no geographical restrictions regarding
eligibility, and attendance at the AIChE Annual Meeting (where the
champions will be
announced) is not a requirement.

Who will judge the Challenge?

The judging will be performed by a panel of experts in the field that will
be selected by the organizing committee.

What is FLUIDSIM?

FLUIDSIM is an email distribution list that has been created to allow
timely communication of information regarding the Simulation Challenge.

Who should join FLUIDSIM?

The membership of the FLUIDSIM email list is intended to include both those
individuals who plan to participate in the 2004 Simulation Challenge
(either as a contestant or judge) AND any other individuals who are
interested in molecular simulation and its use in predicting physical
properties. Therefore, if you have any interest whatsoever in this area, we
encourage you to join the list.  You can then be kept informed about the
Challenge even if you don't currently plan to actively participate.  You
can always unsubscribe from the email list at a later date if you desire to
do so.

How do I join FLUIDSIM?

FLUIDSIM is strictly an "opt-in" email list.  That is, if you don't want to
be a part of the email list, you can simply ignore this invitation.  If you
do want to join, send an email to fluidsim-request*at*freelists.org and put
"subscribe" (without the quotes) in the Subject line of the email.  You
will then automatically receive a reply email with instructions how to
confirm your membership.  You can also join by browsing to the list web
site
(http://www.freelists.org/webpage/fluidsim) and submitting the web form.
If you have problems subscribing or have any other questions, please send
email to info*at*fluidsim.org.

What about my privacy?  Will I receive spam as a result of joining
FLUIDSIM?

The number of emails that you will receive as a member of FLUIDSIM will be
minimal (perhaps on the order of 1 per month).  It is a "newsletter" type
email list, so you will only receive emails from the organizing committee
of the Simulation Challenge, not from the other members of the distribution
list.  The content of emails sent via the list will be related to the
Simulation Challenge and will be text-only (no attachments).  The list of
members is only available to the IFPSC organizing committee.

What sort of information should I expect to receive via FLUIDSIM?

Information related to the Industrial Fluid Properties Simulation Challenge
(e.g., an email providing notification that the Frequently Asked Questions
(FAQ) page on the contest web site has been updated with new information).

Feedback

The organizing committee solicits your feedback.  Please let us know what
you think about Challenge.  Suggest good problems for future Challenges.
Suggest ways that the Challenge can be improved.  If you don't plan to
participate in the Challenge, please let us know why not and give us ideas
about how you might be motivated to participate.  Please send feedback to:
feedback*at*fluidsim.org

The Organizing Committee
Raymond Mountain - NIST - chair
Fiona Case - Case Scientific
Anne Chaka - NIST
Daniel Friend - NIST
Dave Frurip - The Dow Chemical Company
Joseph Golab - BP Amoco Chemical Company
Peter Gordon - ExxonMobil
Russ Johnson - NIST
Petr Kolar - Mitsubishi Chemical Corporation
Jonathan Moore - The Dow Chemical Company
Jim Olson - The Dow Chemical Company
Rick Ross - 3M Company
Martin Schiller - DuPont