Workshop on GPU Programming for Molecular Modeling, August 2-4, 2013, in Urbana, Illinois

From: David Brandon (
Date: Tue Jun 11 2013 - 17:41:43 CDT

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 workshop.

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

The TCBG Workshop Team

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