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Up Directory CCL 10.08.06 Workshop on GPU Programming for Molecular Modeling, August 6-8, 2010, at the Beckman Institute in Urbana, Illinois
From: chemistry-request at
To: chemistry-request at
Date: Thu Jun 10 17:40:25 2010
Subject: 10.08.06 Workshop on GPU Programming for Molecular Modeling, August 6-8, 2010, at the Beckman Institute in Urbana, Illinois
The Theoretical and Computational Biophysics Group, NIH Resource for 
Macromolecular Modeling and Bioinformatics ( at the 
University of Illinois at Urbana-Champaign (, presents a

  Workshop on GPU Programming for Molecular Modeling

to be held August 6-8, 2010, at the Beckman Institute for Advanced Science 
and Technology, on the University of Illinois campus in Urbana, Illinois, 
USA. Application, selection, and notification of participants is on-going 
through July 29, 2010.

Note:  Participants are encouraged to attend the multi-site "Proven 
Algorithmic Techniques for Many-core Processors" workshop 
( the preceding week 
(August 2-6) at the location of their choice.  Registration for this 
workshop is required for participants without equivalent GPU-programming 
training or experience. 

The GPU Programming for Molecular Modeling workshop will extend GPU 
programming techniques to the field of molecular modeling, including 
subjects such as particle-grid algorithms (electrostatics and molecular 
orbitals), particle-particle algorithms with an emphasis on non-bonded 
force calculations, radial distribution functions in GPU histogramming, 
single-node multi-GPU algorithms, and GPU clusters. Specific examples 
utilizing the NAMD and VMD software programs will be introduced and 
discussed in detail. Participants are invited and encouraged to bring 
their own molecular modeling problems to the workshop, for group 
discussion of how to address those problems via accelerated GPU hardware.

The workshop is designed for researchers in computational and/or 
biophysical fields who seek to extend their GPU programming skills to 
include molecular modeling. Advanced lecture sessions will be followed by 
extended discussion periods between lecturers and participants and 
laboratory time in which participants will be able to work on their own 
molecular modeling GPU codes. Enrollment limited to 20 participants; 
selection and notification of participants is ongoing through July 29, 
2010. The workshop will be held August 6-8, 2010. All participants are 
required to bring their own laptop, prepared for use in the workshop 
training sessions. Participants must arrange and pay for their own travel 
and accommodations.

We look forward to receiving your application.

TCBG Workshop Organizers
Email: workshop+GPU_Aug2010~!
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