While existing mathematical descriptions can accurately account for phenomena at microscopic scales (e.g. molecular dynamics), these are often high-dimensional, stochastic and thei...
Modelling activities in molecular biology face the difficulty of prediction to link molecular knowledge with cell phenotypes. Even when the interaction graph between molecules is k...
Abstract-- Technological advances have made FPGAs an attractive platform for the acceleration of complex scientific applications. These applications demand high performance and hig...
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...
NAMD† is a portable parallel application for biomolecular simulations. NAMD pioneered the use of hybrid spatial and force decomposition, a technique now used by most scalable pr...
Abhinav Bhatele, Sameer Kumar, Chao Mei, James C. ...