USER-SELM Package: Fluid-Structure Interaction Simulations in LAMMPS for Incorporating Hydrodynamic Coupling, Elastic Mechanics, and Thermal Fluctuations

Paul Atzberger Paul Atzberger
University of California, Santa Barbara
  • Friday, 11 Aug 2023
  • 12:50 - 13:50 EDT
Recording not available yet

The USER-SELM package provides methods for incorporating into models continuum hydrodynamic coupling with thermal fluctuations into LAMMPS simulations. Motivations include stochastic and deterministic simulations of dynamic implicit-solvent coarse-grained models (for example colloids / polymers / membranes), general fluid-structure interactions subject to thermal fluctuations (selms / immersed boundary models), and shear boundary conditions for micro-rheology studies (for example rheology of soft materials / complex fluids). We discuss the latest updates to the package and example use cases for how to set up models. The package is easy to install and use including with python pip, LAMMPS scripts, or Jupyter notebooks. Additional information and tutorial videos are also available at: