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ZENODO
Dataset . 2023
License: CC BY
Data sources: Datacite
image/svg+xml art designer at PLoS, modified by Wikipedia users Nina, Beao, JakobVoss, and AnonMoos Open Access logo, converted into svg, designed by PLoS. This version with transparent background. http://commons.wikimedia.org/wiki/File:Open_Access_logo_PLoS_white.svg art designer at PLoS, modified by Wikipedia users Nina, Beao, JakobVoss, and AnonMoos http://www.plos.org/
ZENODO
Dataset . 2023
License: CC BY
Data sources: Datacite
image/svg+xml art designer at PLoS, modified by Wikipedia users Nina, Beao, JakobVoss, and AnonMoos Open Access logo, converted into svg, designed by PLoS. This version with transparent background. http://commons.wikimedia.org/wiki/File:Open_Access_logo_PLoS_white.svg art designer at PLoS, modified by Wikipedia users Nina, Beao, JakobVoss, and AnonMoos http://www.plos.org/
ZENODO
Dataset . 2023
License: CC BY
Data sources: ZENODO
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Claim

Data used in: Parametrizing group 4 semiconductors for the xTB method

Research datakeyboard_double_arrow_right Dataset 07 Sep 2023 English Publisher:Zenodo
Authors: Müller, Jonas;

doi: 10.5281/zenodo.8326624 , 10.5281/zenodo.8326625

Data used in: Parametrizing group 4 semiconductors for the xTB method

Abstract

The GFN1-xTB method has been parametrized for periodic systems (Si, C, SiC) using particle swarm optimization. The optimization has been done regarding the band structure along the \(L-\Gamma-X\) path. Tries for the total energy are also included in the data set. All calculations using xTB were done in DFTB+, calculations using DFT were done with FHI-aims. The archive contains: Multiple parameter optimizations for Si, C Band structure calculations on SiC, using parametrizations for Si and C Python scripts used for the optimizations This data was used for the bachelor thesis "Parametrizing group 4 semiconductors for the xTB method" by Jonas Müller.

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selected citations
These citations are derived from selected sources.
This is an alternative to the "Influence" indicator, which also reflects the overall/total impact of an article in the research community at large, based on the underlying citation network (diachronically).
BIP!Citations provided by BIP!
popularity
This indicator reflects the "current" impact/attention (the "hype") of an article in the research community at large, based on the underlying citation network.
BIP!Popularity provided by BIP!
influence
This indicator reflects the overall/total impact of an article in the research community at large, based on the underlying citation network (diachronically).
BIP!Influence provided by BIP!
impulse
This indicator reflects the initial momentum of an article directly after its publication, based on the underlying citation network.
BIP!Impulse provided by BIP!
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