MDANSE 2026

Following the success of MDANSE (Molecular Dynamics and Lattice Dynamics to Analyse Neutron Scattering Experiments) school at ILL and ISIS from 2012 the MDANSE School comes to Copenhagen, Denmark, running from 3–5 November 2026.

 On behalf of the ESS Data Management and Scientific Computing, ISIS Molecular Spectroscopy and ILL Computing for Science groups we cordially invite you to the School.

Registration is now open

Deadline: Thursday 1 October

Over three days, participants work through both the conceptual foundations and practical workflows behind calculating dynamical and vibrational properties of materials. The programme covers density functional theory, lattice dynamics, and classical molecular dynamics — all used to generate realistic simulated data, including inelastic and quasi-elastic neutron scattering spectra. The computational toolkit ASE is also introduced as part of the curriculum.

Hands-on tutorials form the core of the school. Participants learn to apply widely available simulation tools to interpret neutron scattering data, with a particular focus on INS and QENS experiments. The emphasis throughout is on doing: running simulations, analysing outputs, and building the skills needed to directly compare numerical results with experimental measurements — and then interrogate those simulations at the atomic level.

The school is aimed at neutron scientists with a strong computational background and computational scientists looking to engage more directly with neutron experiments. Participants will trace the full workflow from an initial structure through to calculated neutron scattering intensity, developing practical tools for bridging the experiment–simulation divide. Some prior exposure to electronic-structure calculations or force-field-based simulations is expected.

Beyond the technical content, the school is designed to foster collaboration between neutron scientists, instrument scientists, and computational chemists. Early-career researchers are especially welcome — the environment is deliberately informal and supportive, and the field is one where there is genuine room to make an impact.

Places are limited to 20 participants to keep the training hands-on and effective. Applicants should briefly describe their scientific background, their motivation for attending, and their experience with computer simulations.

The fee (200€) will be used to cover accommodation, lunches, coffee breaks, conference dinner and teaching materials. Participants are requested to bring their own laptops.

Organisers:

Piotr Rozyczko (ESS)

Elisa Rebolini (ILL)

Sanghamitra Mukhopadhyay (ISIS)

The school is supported by ISIS, ILL, ESS and UK Neutron Scattering Group (IOP).