Workshop on GPU Programming for Molecular Modeling, August 6-8, 2010, at the Beckman Institute in Urbana, Illinois

From: TCBG Workshops (
Date: Fri Jun 11 2010 - 17:28:26 CDT

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

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