Geometrical control of the interatomic coulombic decay process in quantum dots for infrared photodetectors. - Praphasiri Dolbundalchok; Daniel Peláez; Emad F. Aziz; Annika Bande (J. Comput. Chem., 2016)

Interdependence of ICD rates in paired quantum dots on geometry. - Fabian Weber; Emad F. Aziz; Annika Bande (J. Comput. Chem., 2017)

Machine learning frontier orbital energies of nanodiamonds. - Thorren Kirschbaum; Börries von Seggern; Joachim Dzubiella; Annika Bande; Frank Noé (CoRR, 2022)

Effects of oxidative adsorbates and cluster formation on the electronic structure of nanodiamonds. - Thorren Kirschbaum; Tristan Petit; Joachim Dzubiella; Annika Bande (J. Comput. Chem., 2022)

Ground and excited state charge transfer at aqueous nanodiamonds. - Thorren Kirschbaum; Xiangfei Wang; Annika Bande (J. Comput. Chem., 2023)

Transfer Learning for Molecular Property Predictions from Small Data Sets. - Thorren Kirschbaum; Annika Bande (CoRR, 2024)

Accelerating wavepacket propagation with machine learning. - Kanishka Singh; Ka Hei Lee; Daniel Peláez; Annika Bande (J. Comput. Chem., 2024)