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Up Directory CCL 14.07.22 Workshop on GPU Programming for Molecular Modeling, Urbana, IL, July 22-24, 2014
From: chemistry-request at
To: chemistry-request at
Date: Mon Apr 14 17:32:09 2014
Subject: 14.07.22 Workshop on GPU Programming for Molecular Modeling, Urbana, IL, July 22-24, 2014
The Theoretical and Computational Biophysics Group (, NIH
Center for Macromolecular Modeling and Bioinformatics, present an:

"Workshop on GPU Programming for Molecular Modeling"

July 22-24 in Urbana, Illinois, USA. Apply by noon July 4.

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 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 
students will be able to work on their own molecular modeling GPU codes. 
Enrollment is limited to 20 participants; application deadline is noon 
July 4, 2014, selection and notification of participants is ongoing through 
July 11, 2014. The workshop will be held July 22-24, 2014, in Urbana, 
Illinois. All participants are required to bring their own laptop for use in 
the workshop training sessions. Basic familiarity with CUDA is assumed for 
this workshop. Participants must arrange and pay for their own travel and 
accommodations. See workshop website for details and application:

We look forward to seeing you at the workshop!
The TCBG Workshop Team
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