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MDANSE Workshop 2026
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Europe/Copenhagen
Room 113/117 (ESS Data Management and Scientific Computing)
Room 113/117
ESS Data Management and Scientific Computing
Building 305, first floor
Technical University of Denmark DTU
Asmussens Allé 305,
2800 Lyngby
Denmark
Description
The MDanse School comes to Copenhagen, Denmark, running from 3–5 November 2026.
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 accomodation, lunches, coffee breaks and the conference dinner.
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