The ability to perform long, accurate molecular dynamics (MD) simulations involving proteins and other biological macromolecules could in principle provide answers to some of the ...
David E. Shaw, Martin M. Deneroff, Ron O. Dror, Je...
—Parallel netCDF (PnetCDF) is a popular library used in many scientific applications to store scientific datasets. It provides high-performance parallel I/O while maintaining ...
Kui Gao, Wei-keng Liao, Alok N. Choudhary, Robert ...
We are developing a system for collaborative research and development for a distributed group of researchers at different institutions around the world. In a new paradigm for coll...
During the last decade, the study of large scale complex networks has attracted a substantial amount of attention and works from several domains: sociology, biology, computer scie...
Antoine Scherrer, Pierre Borgnat, Eric Fleury, Jea...
Molecular Dynamics applications enhance our understanding of biological phenomena through bio-molecular simulations. Large-scale parallelization of MD simulations is challenging b...