warshon / KRR_polar

A kernel ridge regression (with Gaussian kernels) approach to predict polarizability tensors, for calculating Raman spectra of molecules and crystals.

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A kernel ridge regression (with Gaussian kernels) approach to predict polarizability tensors, for calculating Raman spectra of molecules and crystals.


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Language:Jupyter Notebook 74.2%Language:Python 24.6%Language:Fortran 1.2%