Large Scale Raman Spectrum Calculations in Defective 2D Materials using Deep Learning

Paper

Atlas literature

Research paper

Computational MLIPComputed RamanComputational DFT

Olivier Malenfant-Thuot, Dounia Shaaban Kabakibo, Simon Blackburn, Bruno Rousseau et al.

arXiv·2025·10.1088/1361-648x/ada106·arXiv:2410.20417

Samples

Each sample groups how it was prepared, characterized, and measured. Click a card to expand.

1 characterization

Simulated Supercell DftCStudied Material

1 characterization

Simulated Supercell Dfth-BNStudied Material

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Large Scale Raman Spectrum Calculations in Defective 2D Materials using Deep Learning | Matter42 Literature