Bio-molecular Simulations on Future Computing Architectures

The landscape of scientific computing hardware has changed in recent years with the onset of the use of GPUs and more radical change is expected over the coming years as the transition is made to massively multi-core CPUs and heterogeneous computing environments. This conference is being co-organized with the National Center for Computational Sciences ( and the National Institute for Computational Sciences (

The participants in this invitation only workshop will include researchers from universities and national laboratories, as well as researchers from hardware companies. In addition to the research talks, there will be round table discussions at the end of each session.

The goal of this workshop is to bring together developers and a variety of users of the molecular modeling techniques and software, biochemists, and biophysicists to identify and discuss challenges associated with the use of future computing architectures.


Funding: This workshop is in part supported by funds from an NIH grant ("Accelerating Biomolecular Simulations on Reconfigurable Computing Hardware", R21GM083946, PI: Pratul Agarwal)



Oak Ridge National Laboratory