We present a de novo hierarchical simulation framework for first-principles based predictive simulations of materials and their validation on high-end parallel supercomputers and ...
Aiichiro Nakano, Rajiv K. Kalia, Ken-ichi Nomura, ...
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...
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...
Abstract. Phylogenetic inference is considered a grand challenge in Bioinformatics due to its immense computational requirements. The increasing popularity and availability of larg...
Michael Ott, Jaroslaw Zola, Srinivas Aluru, Andrew...
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. ...