2022-08-19Zeitschriftenartikel
Roadmap on Machine learning in electronic structure
Kulik, H J; Hammerschmidt, T; Schmidt, J; Botti, S; Marques, M A L; Boley, M; Scheffler, M; Todorović, M; Rinke, P; Oses, C; Smolyanyuk, A; Curtarolo, S; Tkatchenko, A; Bartók, A P; Manzhos, S;
In recent years, we have been witnessing a paradigm shift in computational materials science. In fact, traditional methods, mostly developed in the second half of the XXth century, are being complemented, extended, and ...