This symposium on Computational Chemistry at the Petascale is a satellite symposium of the 14th International Congress of Quantum Chemistry to be held in Boulder, Colorado on June 25-30, 2012.

Computing technologies are changing—processors based on a single core are now replaced by multi-core and many-core processors. High-performance computing (HPC) systems have reached the petascale mark, and the scientific computing community is anticipating the arrival of exascale systems by the end of the decade. The Symposium will expose the computational chemistry community to the challenges posed by the new computing technologies that are here or will soon be here: large numbers of cores on multicore and many-core chips, petascale computers and large-scale heterogeneous systems.

The Symposium will include invited and solicited presentations and a poster session. Invited speakers include:

• Edoardo Apra, Pacific Northwest National Laboratory
• Vincenzo Carnevale, Temple University
• Thomas Cheatham, University of Utah
• Erik Deumens, University of Florida
• Jeff Hammond, Argonne National Laboratory
• Takahito Nakajima, Advanced Institute for Computational Science, RIKEN
• Theresa Windus, Iowa State University

In addition to morning seminars, there will be afternoon mini-tutorials on topics pertinent to petascale computing. Tutorial topics and tutors include:

• Domain-specific Language for Massively Parallel Programming in Molecular Science, Erik Deumens, University of Florida
• Charm++ Parallel Programming Language and Tools, Sanjay Kale, University of Illinois at Urbana-Champaign
• Global Arrays in Computational Chemistry, Daniel Chavarria, Pacific Northwest National Laboratory
• Programming Many-core Accelerators, Wen-mei Hwo (or designate), University of Illinois at Urbana-Champaign

Researchers interested in presenting at the Symposium should submit an abstract per instructions posted on the Symposium’s website by May 1, 2012.  All submissions will be reviewed by the organizing committee and the accepted submissions will be presented as either oral presentations (15 minutes) or posters (1 hour).

Organizing Committee:Brett Bode, NCSA; Thom Dunning, NCSA; Volodymyr Kindratenko, NCSA; Theresa Windus, Iowa State University