CF
2005
ACM
14 years 1 months ago
2005
ACM
Exploiting processor groups is becoming increasingly important for programming next-generation high-end systems composed of tens or hundreds of thousands of processors. This paper...
CGI
2000
IEEE
14 years 3 months ago
2000
IEEE
A new Extensible Markup Language (XML) application, Molecular Dynamics Language (MoDL) has been developed. MoDL provides a simple, but powerful tool for molecular dynamics visuali...
FPL
2007
Springer
14 years 3 months ago
2007
Springer
: Molecular dynamics simulation based on discrete event simulation (DMD) is emerging as an alternative to time-step driven molecular dynamics (MD). DMD uses simplified discretized ...
ANSS
2007
IEEE
14 years 3 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...
SC
2000
ACM
14 years 3 months ago
2000
ACM
We present an optimized parallelization scheme for molecular dynamics simulations of large biomolecular systems, implemented in the production-quality molecular dynamics program N...
CDC
2009
IEEE
14 years 4 months ago
2009
IEEE
Abstract— We consider the simplest model for controlling the rotation of a molecule by the action of an electric field, namely a quantum planar pendulum. This problem consists i...
FPL
2005
Springer
14 years 5 months ago
2005
Springer
Molecular Dynamics (MD) is of central importance to computational chemistry. Here we show that MD can be implemented efficiently on a COTS FPGA board, and that speedups from ¿½...
FCCM
2005
IEEE
14 years 5 months ago
2005
IEEE
Abstract: Molecular Dynamics (MD) is of central importance to computational chemistry and its myriad applications. Here we show that, at even a preliminary stage of development, MD...
IPPS
2006
IEEE
14 years 5 months ago
2006
IEEE
NAMD is a scalable molecular dynamics application, which has demonstrated its performance on several parallel computer architectures. Strong scaling is necessary for molecular dyn...
IPPS
2007
IEEE
14 years 5 months ago
2007
IEEE
This paper proposes a novel architecture supporting dynamic load balancing on an FPGA for a Molecular Dynamics algorithm. Load balancing is primarily achieved through the use of s...