Parallel molecular dynamics with irregular domain decomposition

DOI10.4208/CICP.140810.021210AMaRDI QIDQ4588577zbMATH OpenOpenAlexFDO

Authors Mauro Bisson, Simone Melchionna, M. Bernaschi

Publication date 27 October 2017

Published in Communications in Computational Physics (Search for Journal in Brave)

Full work available at URL http://infoscience.epfl.ch/record/178568

Mathematics Subject Classification ID

Parallel numerical computation (65Y05) Particle methods and lattice-gas methods (76M28) Physiological flows (76Z05)

Recommendations

• Parallel molecular dynamics simulations for short-ranged many-body potentials
• Design and analysis of a parallel molecular dynamics application
• Communication and load balancing of force-decomposition algorithms for parallel molecular dynamics
• Point-centered domain decomposition for parallel molecular dynamics simulation
• A study of domain decomposition and parallel computation

Cited in

(2)

• Parallel energy-stable phase field crystal simulations based on domain decomposition methods
• High performance computing in multiscale problems of gas dynamics

Describes a project that uses

Uses Software

• AMBER
• Hemelb
• NAMD
• Scotch
• MUPHY
• ACEMD
• METIS

This page was built for publication: Parallel molecular dynamics with irregular domain decomposition

Report a bug (only for logged in users!)Click here to report a bug for this page (MaRDI item Q4588577)