GPU Programming for Molecular Modeling
Note: Basic familiarity with CUDA is assumed for this workshop.
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.
Computational Biophysics Workshops