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Good vibrations Spring 2026: The newsletter of the ISIS Molecular Spectroscopy User Group

27 Apr 2026

Volume 18 , Issue 1 - March 2026

A group of people at a conference waving at the camera

Staff news

We are pleased to welcome our PhD student, Senuri Umaya, who began her ALC-sponsored project under the supervision of Sanghamitra Mukhopadhyay jointly with the University of Bath. The ALC Programme Development Studentship project Path Integral Sampling of Thermal Neutrons (PISTN) is sponsoring Kit Brown (University of York), under Matthew Krzystyniak’s supervision since October 2025. He has developed Python tools for the analysis and visualisation of nuclear kinetic energy tensors derived from harmonic and molecular dynamics calculations, and CASTEP-based tools for generating PIMD simulation inputs tailored to system size, pressure, and temperature.

General News

Portrait

2025 - ISIS neutron training school

The ISIS neutron training school was held in October and November, bringing together structure and spectroscopy across QENS, INS, and DINS. Enquiries for the next neutron training school can be directed towards Andrew Seel, and the molecular spectroscopy group looks forward to seeing any new students or neutron users from our user community.
Online training for QENS,INS and DINS are available on Totara

OSIRIS Silicon Analyser

Instrument update: OSIRIS Silicon Analyser

The Si analyser installation on OSIRIS is progressing smoothly without affecting IRIS operations. The upgrade improves energy resolution to 11 µeV, extends the dynamic range by 2.5×, and introduces position sensitive detectors for collecting 4D datasets and exploring out-of-plane dynamics. This enables access to nanosecond timescales, enhancing studies of slow motions in materials. OSIRIS was unavailable during the current cycle for installation but is now fully operational again for April proposal round.

A person working on a laptop

Data analysis

Mantid latest release 6.15 introduces QuickBayes, a new Python based Bayesian fitting backend, alongside the legacy Fortran-based QuasiElasticBayes (which will be deprecated next release). Users are encouraged to start using QuickBayes and report issues. Meanwhile, development on abINS-lib continues, with new ML tools for INS analysis

Image shows a person giving a presentation

Users Representatives

We are very pleased to welcome Fabrizia Foglia has as user representative, joining Matthew Potter. Fabrizia is an associate Professor of Inorganic Chemistry at University College London, and recipient of the 2025 ISIS Impact Science Award for her work on membranes and sustainable technologies. ISIS User Committee (IUC) seeks feedback from the user community on the operation and performance of the ISIS Facility.

Upcoming events

MSG is co-organising MDANSE School 2026 in partnership with ILL and ESS - Sweden - 3-5/11/2026

UK Neutron & Muon Science and User Meeting (NMSUM) 2026

Neutron as a probe to drive our high technology society - GRC Conference 26/04 - 01/05/2026

Integrated Modelling and Scattering for Biomolecules - Sheffield 18-20/05/2026

International Conference on Neutrons in Heritage Science - Munich (DE) - 19 22/05/2026

Neutrons and Food 8 Garching (DE) -15-19/06/2026

XVI Polarized Neutrons For Condensed Matter Investigations (PNCMI2026) - Zaragoza (SP) -31/08 – 4/09/2026

The latest science highlights from the molecular spectroscopy beamlines:

Molecular strucutres on Boric Acid, showing an arrangement of red dots connected by dotted lines
Neutrons pave the way for new cancer therapies
A woman and a man stood next to a large purple ISIS instrument
First use of polarised QENS to study the internal dynamics of protein networks
The INS spectrum for CL-20, collected on the Tosca spectrometer and the application of the vibrational up-pumping model to the INS spectrum, to extract a safety metric for CL-20
Safer screening of explosive material reactivity by vibrational spectroscopy
Diagram showing light and dark grey pyramids representing molybdenum oxide arranged in rows, separated by coloured circles representing water molecules. The arrangement changes when the water is removed
Combined approach reveals secrets of catalyst and energy storage materials
Graphic showing a BBB endotheliocyte undergoing permeability assessment, FIB-SEM and neutron scattering
Neutrons help to explain the relationship between air pollution and brain health through an interdisciplinary Harwell-based collaboration.
Two men holding sample cells stood in front of a large cylindrical machine
A record-breaking user cycle for the FLYNN facility
Graphical abstract showing INS spectra alongside bone specimens
Using neutron spectroscopy to study the effects of fire on ancient Egyptian mummies
Two men stood in front of a beam on sign
Neutrons prove critical for cocrystal characterisation
A crystal structure, alongside experimental and calculated INS spectra.
Neutrons reveal unexpected modes in magnetostrictive material
A group of people stood in front of ISIS TS1
Teamwork enables the study of the toxic gas, phosgene
graphical abstract showing the process of structural determination of the C-terminal extension of Hfq​.​
A new way of folding DNA
​​​In a quantum spin ladder, atoms are arranged in pairs of coupled chains. Here, supersymmetry emerges not as new particles – as it would in particle physics - but as a deep mathematical relationship between spin and charge excitations.​ - Adobe Stock
Supersymmetry shows up in condensed matter
(a), (b) The spin-ladder arrangement formed from cerium atoms. (c) Inelastic neutron scattering measurements of CeSb2 within the plane of the cerium atoms, evidencing quasi-one-dimensional magnetic excitations.
One more rung on the ladder towards understanding unconventional superconductivity
AO6 octahedra and AO4 tetrahedra. These AO polyhedra collaboratively form a two-part honeycomb structure in the a-b plane.
How structure influences excitations in an unusual magnet
Unconventional magnetic order and dynamics in hyperhoneycomb Na2PrO3, compared to a quantum compass model.
Breakthrough discovery in magnetic materials could unlock new quantum states
Molecular modelling to study how the membranes swell in water.
Nano-scale changes in structure can help optimise ion exchange membranes for use in devices such as flow batteries

Please inform us of your publications arising from ISIS related work. Remember to include ISIS staff as co-authors, when deemed appropriate, to cite instruments and software, and include a DOI for your experiment RB. Send any feedback for our group, to our User Group representatives.

Team member