Breakout

Tutorial on using USER-SELM for fluctuating hydrodynamics models in LAMMPS


Paul Atzberger Paul Atzberger
University of California, Santa Barbara
  • Friday, 13 Aug 2021
  • 12:50 - 13:50 EDT
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In this hands-on tutorial we will cover the background and the steps for setting up models with hydrodynamic coupling in LAMMPS. The package can be used to simulate systems including particle and polymer systems with hydrodynamic coupling, ionic fluids and electrokinetics, and other dynamic implicit-solvent coarse-grained models. We show how to use the package through a few examples including lammps scripts, through python / jupyter notebooks, and how to analyze / visualize results. The USER-SELM package provides several integrators to replace particle solvents with stochastic continuum models incorporating hydrodynamic coupling and fluctuations. This includes stochastic immersed boundary methods, stochastic eulerian lagrangian methods, and other general fluid-structure interaction methods for simulations of LAMMPS models. To download and for more information see http://mango-selm.org