machine-learned-potentials

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ramic-k / IRMA

IRMA - One phonon model, three outputs: ENDF-6 thermal scattering evaluations, instrument-resolved INS spectra, and NCrystal transport kernels; a machine-learned-potential front end starts from a bare crystal structure.

phonons nuclear-data neutron-scattering endf ncrystal thermal-neutron-scattering machine-learned-potentials

Updated Aug 28, 2026
Python

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