Datasets for the paper \"Large Scale Raman Spectrum Calculations in defective 2D materials using Deep Learning\"
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This contains the graphene and hexagonal boron nitride datasets used to train the models described in the paper \"Large Scale Raman Spectrum Calculations in defective 2D materials using Deep Learning\". They are in the ASE format as described here: https://wiki.fysik.dtu.dk/ase/tutorials/tut06_database/database.html
创建时间：
2024-09-25
