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Simulations of Neutron Scattering and Magnetization Data for the NIPS3 lattice with varying exchanges

    David Dahlbom | Oak Ridge National Laboratory
    Daniel Pajerowski | Oak Ridge National Laboratory
    Garrett E Granroth | Oak Ridge National Laboratory
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Description

This dataset contains simulations generated by Sunny.jl of the magnetic excitations on the NiPS3 lattice. The exchange parameters are varied over the system so these simulations can be used for AI model training.

Funding Information

DOE Contract Number

AC05-00OR22725

Originating Research Organization

Oak Ridge National Laboratory (ORNL), Oak Ridge, TN (United States)

Other Contributing Organizations

This work was supported by the U.S. Department of Energy, Office of Science, Basic Energy Sciences, under the BES AI Pathfinder project MAIQMag: Multimodal AI for 2D Quantum Magnets.

Sponsoring Organization

Office of Science (SC)

Related Works

Details

DOI

https://doi.org/10.13139/ORNLNCCS/3025741

Release Date

April 9, 2026

Subject

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSICS, 75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND SUPERFLUIDITY, 36 MATERIALS SCIENCE

Keywords

Magnetism, spin waves, Inelastic Neutron Scattering, simulation

Dataset

Dataset Type

AS Animations/Simulations

Software

HDF5 reader

Cite This Dataset:

Dahlbom, D., Pajerowski, D., Granroth, G. (2026). Simulations of Neutron Scattering and Magnetization Data for the NIPS3 lattice with varying exchanges. Oak Ridge National Laboratory. https://doi.org/10.13139/ORNLNCCS/3025741.

Acknowledgements

This work was carried out [in part] at Oak Ridge National Laboratory, managed by UT-Battelle, LLC for the U.S. Department of Energy under contract DE-AC05-00OR22725.