A parallel Lowe-Andersen thermostat for soft matter simulations

Authors:
K. R. Prathyusha;P. B. Sunil Kumar
Affiliations:
Indian Institute of Technology Madras, Chennai, India;Indian Institute of Technology Madras, Chennai, India
Venue:
Proceedings of the ATIP/A*CRC Workshop on Accelerator Technologies for High-Performance Computing: Does Asia Lead the Way?
Year:
2012

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Computer simulation of liquids

Computer simulation of liquids
Fast parallel algorithms for short-range molecular dynamics

Journal of Computational Physics

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Abstract

Simulating colloidal dynamics, with solvent mediated hydrodynamics interactions, is a challenging task. The traditional approach is to use Dissipative Particle Dynamics thermostat and soft interactions. However this can yield only low Schmidt number Sc flows. We have implemented an MPI version of Lowe-Andersen thermostat, with soft interactions, to obtain high Sc flows. Some results from the simulations of polymers, with this thermostat will be discussed.