CF
2005
ACM
13 years 6 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
13 years 8 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
13 years 8 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
13 years 8 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
13 years 9 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
13 years 9 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
13 years 10 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
13 years 10 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
13 years 10 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
13 years 11 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...