Date: Wednesday 8th of February 2023, 13:30 (GMT).
Location: Isaac Newton Building (INB3305) and Online MS Teams meeting

‘Mesoscale, molecules and more: simulations with DL_Software’

by Dr Michael Seaton, UK Research and Innovation, STFC Daresbury Laboratory, Daresbury, UK.

Abstract:

The DL_Software suite of simulation codes developed at Daresbury Laboratory enable computational studies of matter at various length and time scales, ranging from the quantum mechanical level towards the continuum for process design. One of those software packages – DL_MESO – deals with the mesoscale between atoms and continuum, with Dissipative Particle Dynamics (DPD) and the Lattice Boltzmann Equation (LBE) as modelling methods at those scales. As its lead developer, I will talk about DL_MESO: what its codes are capable of, how it can be (and is being) used in modelling of materials and processes, and where and how it fits in the DL_Software infrastructure alongside e.g. the molecular dynamics code DL_POLY.