54 search results - page 2 / 11 » I O Limitations in Parallel Molecular Dynamics |
ICPP
2006
IEEE
13 years 11 months ago
2006
IEEE
— Molecular Dynamics (MD) is an important atomistic simulation technique, with widespread use in computational chemistry, biology, and materials. An important limitation of MD is...
ICCD
2008
IEEE
14 years 2 months ago
2008
IEEE
—One of the major design verification challenges in the development of Anton, a massively parallel special-purpose machine for molecular dynamics, was to provide evidence that co...
ISCA
2007
IEEE
13 years 12 months ago
2007
IEEE
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 ...
SPAA
2009
ACM
14 years 6 months ago
2009
ACM
Hash tables are one of the most fundamental data structures in computer science, in both theory and practice. They are especially useful in external memory, where their query perf...
ANSS
2007
IEEE
13 years 9 months ago
2007
IEEE
Molecular Dynamics (MD) involves solving Newton's equations of motion for a molecular system and propagating the system by time-dependent updates of atomic positions and velo...