AMBER Archive (2008)
Subject: AMBER: 3rd Annual CMM Workshop on QM/MM Simulations
From: Ross Walker (ross_at_rosswalker.co.uk)
Date: Mon May 19 2008 - 18:33:55 CDT
From: CMM QM/MM Workshop [mailto:qmmmworkshop_at_cmm.chem.upenn.edu]
We cordially invite you to register for the:
3rd Annual CMM 'Users Meet Developers' Workshop on QM/MM Simulations
August 21st to 23rd 2008 in Philadelphia, PA
The primary goal of this annual workshop is to encourage communication
between users and developers of different Quantum Mechanics / Molecular
Mechanics (QM/MM) approaches and implementations. It is meant to be a
forum to exchange ideas about solutions to common problems, demonstrate
successes of QM/MM applications and to discuss ways to make QM/MM
calculations more versatile and also more accessible for newcomers to
the field. To this effect, we particularly invite active developers
of QM/MM codes and experienced users.
The 2008 workshop is planned to consist of oral and poster presentations
on current methods developments and applications of QM/MM simulations in
an informal and collegial atmosphere. Previous CMM QM/MM workshops have
also shown to be a good platform for graduate students and postdocs to
present their work and get useful comments from a competent audience.
The schedule will give a lot of room for discussions (1/3 of the time
allocated for each oral presentation). We will start on Thursday, August
21st in the evening (8 pm) with a reception, there will be presentations
and a poster session on Friday, August 22nd and we close on Saturday,
August 23rd in the late afternoon after another round of presentations.
* Special Note: QM/MM Symposium at ACS Fall Meeting 2008 in Philadelphia
Please note that the CMM QM/MM workshop directly follows the 2008 ACS
Fall Meeting (Aug 17-21) in Philadelphia. During the ACS meeting a
QM/MM symposium sponsored by the COMP section has been put together by
the organizers of the CMM QM/MM workshop. Several of the invited speakers
at the ACS symposium have indicated to stay for the CMM workshop as well,
and thus the workshop will offer a great opportunity to discuss with
experts in the field in a less formal atmosphere. The final program of
the ACS symposium is not yet available online, but a link to the QM/MM
symposium program will be made available through the workshop homepage.
* Cost and Financial Support
The workshop is sponsored by the LRSM ( http://www.lrsm.upenn.edu/ ) and
the Merck Research Laboratories ( http://www.merck.com/mrl/ ). To keep
the administrative overhead low, we don't provide any individual financial
support, but in turn there is _NO_ registration or conference fee, and
for qualified participants we can provide accommodation support in the
form of a block of (double occupancy) rooms at no cost in a hotel within
walking distance to the Penn campus. For other participants we will
negotiate a discounted rate at the conference hotel.
* Registration, Contributions and Participation
To register for participation simply send an e-mail
to qmmmworkshop_at_cmm.chem.upenn.edu stating:
- your full name and affiliation
- your research interest (field of research, developer or user,
which QM/MM package, level or experience)
- whether you would like to contribute a full (30min) or a short (10min)
oral presentation and/or a poster and a respective tentative title.
- whether you want to apply for accommodation support (see above)
or prefer to organize accommodation for yourself.
The maximum number of participants and presenters is limited due to
the available funding, the size of the lecture hall, and to maintain
the informal atmosphere, which has proven to be important for effective
discussions. Special preference will be given to participants that
increase the diversity of presentations and represented QM/MM codes.
Please respond until: __June 8th 2008__
Confirmation of your attendance will be sent out via e-mail
as soon as possible and at the latest shortly after the deadline.
* Venue and Program
The workshop will be held on the campus of the University of
Pennsylvania in the University City area of Philadelphia.
Details of venue and a tentative program will be published
on the workshop home page as they become available:
The web page still contains the details for previous workshops
(for your information) and will be updated continuously.
If you have any questions about the workshop or the details
of the organization please don't hesitate to contact us at:
We are hoping to meet you soon in Philadelphia.
On behalf of the CMM and the organizers,
Dr. Axel Kohlmeyer akohlmey_at_cmm.chem.upenn.edu
Associate Director - Center for Molecular Modeling - U. of Pennsylvania
Department of Chemistry, 231 S.34th Street, Philadelphia, PA 19104-6323
tel: 1-215-898-1582, fax: 1-215-573-6233, http://www.cmm.upenn.edu
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