Data publication: Static and dynamic simulation approach using density-functional tight-binding in molecular electronics

RODARE 2026 Dataset Open access

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Authors: Mani Lokamani, Filip Kilibarda, Florian Günther, Jeffrey Kelling, Strobel, Alexander, Peter Zahn, Guido Juckeland, Kurt V. Gothelf, Elke Scheer, Sibylle Gemming, Artur Erbe
DOI: 10.14278/rodare.4432
Cited by: 0

Abstract

Configurations and Input files for DFTB simulations

Fields of Study & Subjects

Molecular Junctions and Nanostructures Advanced Chemical Physics Studies Advanced Physical and Chemical Molecular Interactions

Publication details

Journal / source
RODARE
Publication date
17 January 2026
Document type
Dataset