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Automated quantum conductance calculations using maximally-localised Wannier...

Matthew Shelley, Nicolas Poilvert, Arash A. Mostofi, Nicola Marzari: Automated quantum conductance calculations using maximally-localised Wannier functions. Comput. Phys. Commun. 182(10): 2174-2183 (2011)

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Quantum Energy Regression using Scattering Transforms.

Matthew J. Hirn, Nicolas Poilvert, Stéphane Mallat: Quantum Energy Regression using Scattering Transforms. CoRR abs/1502.02077 (2015)

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Wavelet Scattering Regression of Quantum Chemical Energies.

Matthew J. Hirn, Stéphane Mallat, Nicolas Poilvert: Wavelet Scattering Regression of Quantum Chemical Energies. Multiscale Model. Simul. 15(2): 827-863 (2017)

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