2 papers
cond-mat.mtrl-sci2024
A method for the automatic generation of a minimal basis set of structural templates for material phase-space exploration
Caja Annweiler, Simone Di Cataldo, Maurits W. Haverkort +1
We present a novel method for predicting binary phase diagrams through the automatic construction of a minimal basis set of representative templates. The core assumption is that an…
cond-mat.mtrl-sci2024
Influence of Core Substitution on the Electronic Structure of Benzobisthiadiazoles
Mohsen Ajdari, Ronja Pappenberger, Caja Annweiler +7
Benzobisthiadiazoles (BBTs) are promising organic semiconductors for applications in field effect transistors and solar cells, since they possess a strong electron-accepting charac…