Research
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 … these accurate calculations are severely limited in system size by the high-computational cost of DFT … these accurate calculations are severely limited in system size by the high-computational cost of DFT …Published on: Wed 10/11/2021 - 15:05