Accurate Computational Prediction of Core-Electron Binding Energies in Carbon-Based Materials A Machine-Learning Model Combining Density-Functional Theory and GW

von Golze, Dorothea
Veröffentlicht in: Chemistry of materials : a publication of the American Chemical Society (2022)

Reactivity of Amorphous Carbon Surfaces Rationalizing the Role of Structural Motifs in Functionalization Using Machine Learning

von Caro, Miguel A
Veröffentlicht in: Chemistry of materials : a publication of the American Chemical Society (2018)