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» Implementing peridynamics within a molecular dynamics code
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PPOPP
2006
ACM
13 years 11 months ago
Performance characterization of molecular dynamics techniques for biomolecular simulations
Large-scale simulations and computational modeling using molecular dynamics (MD) continues to make significant impacts in the field of biology. It is well known that simulations...
Sadaf R. Alam, Jeffrey S. Vetter, Pratul K. Agarwa...
FPL
2006
Springer
123views Hardware» more  FPL 2006»
13 years 9 months ago
Improved Interpolation and System Integration for FPGA-Based Molecular Dynamics Simulations
: FPGA-based acceleration of molecular dynamics (MD) has been the subject of several recent studies. Here we describe a new non-bonded force computation pipeline implemented on a 2...
Yongfeng Gu, Tom Van Court, Martin C. Herbordt
BMCBI
2010
175views more  BMCBI 2010»
13 years 5 months ago
Towards high performance computing for molecular structure prediction using IBM Cell Broadband Engine - an implementation perspe
Background: RNA structure prediction problem is a computationally complex task, especially with pseudo-knots. The problem is well-studied in existing literature and predominantly ...
S. P. T. Krishnan, Sim Sze Liang, Bharadwaj Veerav...
ANSS
2007
IEEE
13 years 9 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. ...
SC
2000
ACM
13 years 9 months ago
A Wrapper Generator for Wrapping High Performance Legacy Codes as Java/CORBA Components
This paper describes a Wrapper Generator for wrapping high performance legacy codes as Java/CORBA components for use in a distributed component-based problemsolving environment. U...
Maozhen Li, Omer F. Rana, Matthew S. Shields, Davi...