Large-scale simulations and computational modeling using molecular dynamics (MD) continues to make significant impacts in the field of biology. It is well known that simulations...
Sadaf R. Alam, Jeffrey S. Vetter, Pratul K. Agarwa...
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. ...
MPI (the Message Passing Interface) continues to be the dominant programming model for parallel machines of all sizes, from small Linux clusters to the largest parallel supercomput...
Due to the extensive requirement of memory and speed for direct numerical simulation (DNS) of channel turbulence, people can only perform DNS at moderate Reynolds number before. W...
Recently, energy has become an important issue in highperformance computing. For example, supercomputers that have energy in mind, such as BlueGene/L, have been built; the idea is...
Vincent W. Freeh, Feng Pan, Nandini Kappiah, David...