Summer School

NEMD 2026 Summer School 6 to 7 July 2026

Non-Equilibrium Molecular Dynamics (NEMD) is increasingly used to study liquids and interfaces in regimes where continuum descriptions break down, from nanoscale flows and wetting to heat transfer, lubrication, and semiconductor processing. Yet for many researchers, NEMD remains difficult to access: its fundamentals are rarely taught in a unified way, and practical guidance on extracting reliable transport properties is often scattered across the literature.

This summer school is designed to bridge that gap.

We focus on the fundamental ideas, practical techniques, and common pitfalls of using molecular dynamics to study non-equilibrium transport in liquids and at interfaces, with an emphasis on results that can be connected to continuum models and emerging technological applications.

Molecular Dynamics model, showing atoms around the interface of a droplet, and a mesh depicting the droplet surface.

The school is aimed at early-career researchers who:

  • already simulate fluids but want rigorous NEMD foundations, and/or
  • are new to NEMD for fluids and interfaces.

No prior experience with non-equilibrium methods is assumed.

The programme covers:

  • Fundamentals: NEMD theory for fluids and interfaces
  • Interfacial properties: solid-liquid and liquid-vapour systems
  • Transport phenomena: slip lengths, heat fluxes, and interfacial thermal transport
  • Auto-correlation methods: extracting transport properties from simulations
  • Machine learning potentials: for fluids and interfaces
  • Multiscale modelling: linking molecular results to continuum descriptions
  • Applications: current research landscape and industrial use cases
  • Hands-on HPC sessions: run real simulations on ARCHER2, the UK’s national supercomputer, with dedicated support from EPCC training experts

The emphasis throughout is on physical understanding, reproducible workflows, and transferable skills, rather than black-box simulation.

Further details about the summer school are available at:

NEMD Summer School 2026