Point-centered domain decomposition for parallel molecular dynamics simulation
From MaRDI portal
Publication:1971523
DOI10.1016/S0010-4655(99)00436-1zbMath0962.65006MaRDI QIDQ1971523
R. Koradi, M. Billeter, Peter Güntert
Publication date: 15 February 2001
Published in: Computer Physics Communications (Search for Journal in Brave)
Full work available at URL: https://doi.org/10.1016/s0010-4655(99)00436-1
performance; MPI; algorithm; parallel computing; molecular dynamics; message passing; biological macromolecules; cluster atoms; OPALp; protein cyclophilin; Voronoi-like domain decomposition
92C40: Biochemistry, molecular biology
65Y05: Parallel numerical computation
65Y20: Complexity and performance of numerical algorithms
65C35: Stochastic particle methods
Related Items
A domain decomposition molecular dynamics program for the simulation of flexible molecules with an arbitrary topology of Lennard-Jones and/or Gay-Berne sites, Parallel SPH modeling using dynamic domain decomposition and load balancing displacement of Voronoi subdomains, Dynamic domain decomposition method based on weighted Voronoi diagrams, A new parallel algorithm for constructing Voronoi tessellations from distributed input data, Parallelization strategies for Monte Carlo simulations of thin film deposition, A cell multipole based domain decomposition algorithm for molecular dynamics simulation of systems of arbitrary shape
Uses Software
