From: chemistry-request at
To: chemistry-request at
Date: Wed Jun 12 17:11:28 2013
Subject: 13.08.02 Workshop on GPU Programming for Molecular Modeling, August 2-4, 2013, in Urbana, Illinois
The Theoretical and Computational Biophysics Group, NIH Center for 
Macromolecular Modeling and Bioinformatics ( at the 
University of Illinois at Urbana-Champaign ( will organize a:

"Workshop on GPU Programming for Molecular Modeling"

to be held August 2-4, 2013, at the Beckman Institute for Advanced Science 
and Technology, on the University of Illinois campus in Urbana, Illinois, USA.

Note: Basic familiarity with CUDA is assumed for this workshop. Participants 
are also encouraged to attend the multi-site "Proven Algorithmic Techniques 
for Many-core Processors" ( 
summer school the preceding week (July 29 - August 2) at the location of 
their choice.

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, molecular surfaces, density 
maps, 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 GPU accelerator 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 students 
will be able to work on their own molecular modeling GPU codes. Enrollment is 
limited to 20 participants; application deadline is July 15, selection and 
notification of participants is ongoing through July 17, 2013. The workshop 
will be held August 2-4, 2013, in Urbana, Illinois. All participants are 
required to bring their own laptop, for use in the workshop training 
sessions. Participants must arrange and pay for their own travel and 
accommodations. A $50 non-refundable registration fee is required by the 

For calendar, application, and more information, please visit the workshop 

The TCBG Workshop Team
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