Skip to main content Skip to navigation

Publications

No. of Publications: 56

See also Google Scholar


Select tags to filter on

Physically inspired deep learning of molecular excitations and photoemission spectra

Physically inspired deep learning of molecular excitations and photoemission spectra

Julia Westermayr, Reinhard J. Maurer, Chemical Science DOI: 10.1039/D1SC01542G (2021)

"In this work, we present a deep neural network that predicts charged quasiparticle excitations for large and complex organic molecules with a rich elemental diversity and a size well out of reach of accurate many body perturbation theory calculations."