Institutionen der Universität Bayreuth
Lehrstuhl Theoretische Physik VII - Computational Materials Design (BayBatt) - Univ.-Prof. Dr. Harald Oberhofer

Siegert, Tobias ; Pahwa, Prerna ; Griesbach, Markus ; Kahle, Frank-Julian ; Oberhofer, Harald ; Köhler, Anna ; Grüninger, Helen:
Modelling Thermal Halide Exchange of Perovskite Powders With and Without BMIMBF₄ From an Interdiffusion Perspective.
In: Advanced Functional Materials. Bd. 36 (2026) Heft 7 . - e10920.
ISSN 1616-3028
DOI der Verlagsversion: https://doi.org/10.1002/adfm.202510920

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. Bd. 161 (2024) Heft 7 . - 074102.
ISSN 0021-9606
DOI der Verlagsversion: https://doi.org/10.1063/5.0223540