Publications "Oberhofer, Harald"

Yao, Yuxuan ; Oberhofer, Harald:
Designing building blocks of covalent organic frameworks through on-the-fly batch-based Bayesian optimization.
In: The Journal of Chemical Physics. Vol. 161 (2024) Issue 7 . - 074102.
ISSN 0021-9606
DOI der Verlagsversion: https://doi.org/10.1063/5.0223540

Schöttle, Marius ; Tran, Thomas ; Oberhofer, Harald ; Retsch, Markus:
Machine Learning Enabled Image Analysis of Time-Temperature Sensing Colloidal Arrays.
In: Advanced Science. Vol. 10 (2023) Issue 8 . - 2205512.
ISSN 2198-3844
DOI der Verlagsversion: https://doi.org/10.1002/advs.202205512

Ghan, Simiam ; Diesen, Elias ; Kunkel, Christian ; Reuter, Karsten ; Oberhofer, Harald:
Interpreting ultrafast electron transfer on surfaces with a converged first-principles Newns-Anderson chemisorption function.
In: The Journal of Chemical Physics. Vol. 158 (2023) Issue 23 . - 234103.
ISSN 0021-9606
DOI der Verlagsversion: https://doi.org/10.1063/5.0151009