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CPHYSICS
2008
87views more  CPHYSICS 2008»
14 years 9 months ago
Molecular dynamics studies of swimming at the microscopic scale
The motion of two- and three-dimensional self-propelled microscopic bodies immersed in a fluid medium is studied using molecular dynamics simulation. The advantage of the atomisti...
D. C. Rapaport
IRREGULAR
1998
Springer
15 years 1 months ago
Modeling Dynamic Load Balancing in Molecular Dynamics to Achieve Scalable Parallel Execution
To achieve scalable parallel performance in Molecular Dynamics Simulation, we have modeled and implemented several dynamic spatial domain decomposition algorithms. The modeling is ...
Lars S. Nyland, Jan Prins, Ru Huai Yun, Jan Herman...
90
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ICA3PP
2005
Springer
15 years 3 months ago
GridMD: Program Architecture for Distributed Molecular Simulation
In the present work we describe architectural concepts of the distributed molecular simulation package GridMD. The main purpose of this work is to underline the construction patter...
Ilya Valuev
ANSS
2007
IEEE
15 years 1 months ago
MDL, A Domain-Specific Language for Molecular Dynamics
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...
Trevor M. Cickovski, Chris Sweet, Jesús A. ...
APVIS
2011
13 years 9 months ago
Loose capacity-constrained representatives for the qualitative visual analysis in molecular dynamics
Molecular dynamics is a widely used simulation technique to investigate material properties and structural changes under external forces. The availability of more powerful cluster...
Steffen Frey, Thomas Schlömer, Sebastian Grot...