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The primary goal of this workshop is to encourage communication between users and developers of different hybrid 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 accessible for newcomers to the field. To this effect QM/MM interface code developers, experienced QM/MM users and motivated QM/MM newcomers with experience in either QM- or MM-calculations are invited to participate.
The workshop is sponsored by the Laboratory for Research on the Structure of Matter and the Merck Research Laboratories, and hostsed by the Center of Molecular Modeling, which is part of the Department of Chemistry of the University of Pennsylvania
The 2008 workshop is planned to consist of oral and poster presentations on current method 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).
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 division
has been put together by the organizers of the CMM QM/MM workshop.
This symposium is tentatively scheduled
for the afternoon sessions on Wed Aug 20th and Thu Aug 21st.
Several of the invited speakers at the ACS symposium will
stay for the CMM workshop as well,
and thus this workshop will offer a great opportunity to
discuss with experts in the field in a less formal atmosphere.
To register for participation simply send an e-mail to qmmmworkshop@cmm.chem.upenn.edu stating:
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.
Confirmation of your attendance will be sent out via e-mail as soon as possible or within a week, at the latest.
Registration for presentations and sponsored accommodation has been closed as of June 11th 2008
Late registration (for participation only) is possible even after this deadline, but acceptance is subject to capacity constraints.
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.
The workshop takes place on the Penn campus
Additional instructions on how to get to the campus and hotel(s) and generally find your way around on campus and in Philadelphia, see the separate web page on transport.
For more information on the conference hotel and room lists see the accommodation page
The workshop starts on Thursday, August 21st in the evening (8.00pm) and it ends on Saturday 23rd. The program consists of a number of presentations of QM/MM algorithms implementations and typical application examples for the respective interfaces, as well as presentations from experienced QM/MM users describing applications that showcase specific features of the QM/MM implementations and discuss (potential) problems of the employed interfaces and suggestions or solutions to overcome them.
If you have additional questions or need further information, please contact: qmmmworkshop@cmm.chem.upenn.edu.
| Home | Program | Venue | Participants | Directions | Accommodation | Lunch | Dinner |
|---|