TL;DR
RMPCDMD is a versatile simulation software for modeling colloids with hydrodynamics, chemical reactions, and external fields, primarily used for studying chemically powered nanomotors.
Contribution
The paper introduces RMPCDMD, a new software package that combines hybrid Molecular Dynamics with multiparticle collision dynamics for detailed colloid simulations.
Findings
Supports modeling of chemically active colloids and nanomotors
Includes hydrodynamics, thermal fluctuations, and chemical reactions
Provides comprehensive documentation and tutorials
Abstract
The RMPCDMD software package performs hybrid Molecular Dynamics simulations, coupling Multiparticle Collision Dynamics to model the solvent and Molecular Dynamics to model suspended colloids, including hydrodynamics, thermal fluctuations, and chemically active solvent particles and catalytic colloids. The main usage of RMPCDMD is the simulation of chemically powered nanomotors, but other setups are considered: colloids in the presence of a thermal gradients or forced flows. RMPCDMD is developed in Fortran 2008 with OpenMP for multithreaded operation and uses the HDF5-based H5MD file format for storing data. RMPCDMD comes with documentation and a tutorial for the simulation of chemically powered nanomotors.
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