Workshop on GPU Programming for Molecular Modeling, in Urbana, Illinois, July 22-24, 2014

From: David Brandon (
Date: Fri Apr 18 2014 - 16:49:02 CDT

The Theoretical and Computational Biophysics Group (,
NIH Center for Macromolecular Modeling and Bioinformatics, presents:

"Workshop on GPU Programming for Molecular Modeling," July 22-24, 2014

with an application deadline of noon July 4

to be held at the Beckman Institute, Univ. of Illinois at
Urbana-Champaign, in Urbana, Illinois.

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. Please see
workshop website for more information, fees, and application:

We look forward to seeing you at the workshop!

The TCBG Workshop Team

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