In earlier work cloning is proposed as a means for efficiently splitting a running simulation midway through its execution into multiple parallel simulations. In simulation cloni...
In the present work we describe architectural concepts of the distributed molecular simulation package GridMD. The main purpose of this work is to underline the construction patter...
Simulation is the primary method for evaluating computer systems during all phases of the design process. One significant problem with simulation is that it rarely models the syst...
Jeff Gibson, Robert Kunz, David Ofelt, Mark Heinri...
The Molecular Modeling Toolkit is a library that implements common molecular simulation techniques, with an emphasis on biomolecular simulations. It uses modern software engineeri...
Data-parallel accelerator devices such as Graphical Processing Units (GPUs) are providing dramatic performance improvements over even multicore CPUs for lattice-oriented applicatio...