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

por Caro, Miguel A., Aarva, Anja, Deringer, Volker L., Csányi, Gábor, Laurila, Tomi
Publicado 2018

X-ray Spectroscopy Fingerprints of Pristine and Functionalized Graphene

por Aarva, Anja, Sainio, Sami, Deringer, Volker L., Caro, Miguel A., Laurila, Tomi
Publicado 2021

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

por Golze, Dorothea, Hirvensalo, Markus, Hernández-León, Patricia, Aarva, Anja, Etula, Jarkko, Susi, Toma, Rinke, Patrick, Laurila, Tomi, Caro, Miguel A.
Publicado 2022