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Modelling NMR Spectroscopy with Machine Learning : towards Large-Scale Modelling of NMR of Oxide Glasses
… as it provides precise information on both the structure and dynamics at an atomistic scale. The local environment of … be acquired independently of the crystalline, disordered and vitreous form of the studied material. For these … these accurate calculations are severely limited in system size by the high-computational cost of DFT …Published on: