255 search results - page 6 / 51 » Scalable Molecular Dynamics for Large Biomolecular Systems |
IPPS
2008
IEEE
14 years 1 months ago
2008
IEEE
Processing nodes of the Cray XT and IBM Blue Gene Massively Parallel Processing (MPP) systems are composed of multiple execution units, sharing memory and network subsystems. Thes...
CGF
2010
13 years 7 months ago
2010
Molecular surfaces play an important role in studying the interactions between molecules. Visualizing the dynamic behavior of molecules is particularly interesting to gain insight...
CF
2005
ACM
13 years 9 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...
FCCM
2007
IEEE
14 years 1 months ago
2007
IEEE
Abstract: FPGA-based acceleration of molecular dynamics (MD) has been the subject of several recent studies. Implementing long-range forces, however, has only recently been address...
CPHYSICS
2008
13 years 7 months ago
2008
A scalable parallel algorithm has been designed to study long-time dynamics of many-atom systems based on the nudged elastic band method, which performs mutually constrained molec...