The calculation of radial distribution functions (RDFs) from molecular dynamics trajectory data is a common and computationally expensive analysis task. The rate limiting step in ...
A recent trend in computing are domain-specific program generators, designed to alleviate the effort of porting and reoptimizing libraries for fast-changing and increasingly com...
Abstract Advances in high performance computing, communications, and user interfaces enable developers to construct increasingly interactive high performance applications. The Falc...
The advent of general purpose graphics processing units (GPGPU's) brings about a whole new platform for running numerically intensive applications at high speeds. Their multi-...
Michela Taufer, Omar Padron, Philip Saponaro, Sand...