Open Access Article
This Open Access Article is licensed under a Creative Commons Attribution 3.0 Unported Licence
Correction: Graph theory and graph neural network assisted high-throughput crystal structure prediction and screening for energy conversion and storage
Joshua
Ojih
a,
Mohammed
Al-Fahdi
a,
Yagang
Yao
b,
Jianjun
Hu
c and
Ming
Hu
*a
aDepartment of Mechanical Engineering, University of South Carolina, SC 29208, USA. E-mail: hu@sc.edu
bNational Laboratory of Solid State Microstructures, College of Engineering and Applied Sciences, Jiangsu Key Laboratory of Artificial Functional Materials, and Collaborative Innovation Center of Advanced Microstructures, Nanjing University, Nanjing 210093, China
cDepartment of Computer Science and Engineering, University of South Carolina, Columbia, SC 29208, USA
First published on 26th June 2024
Abstract
Correction for ‘Graph theory and graph neural network assisted high-throughput crystal structure prediction and screening for energy conversion and storage’ by Joshua Ojih et al., J. Mater. Chem. A, 2024, 12, 8502–8515, https://doi.org/10.1039/D3TA06190F.
On page 8511 in section 3.2 of the published article, the text “The single values of bonding and antibonding for each structure are obtained by performing integration over COHP curves for each atomic pair as evaluated by the LOBSTER package” should have included citations to six references. The missing references are listed below as ref. 1–6.
The Royal Society of Chemistry apologises for these errors and any consequent inconvenience to authors and readers.
References
- R. Dronskowski and P. Bloechl, J. Phys. Chem., 1993, 97, 8617–8624 CrossRef CAS.
- V. L. Deringer, A. L. Tchougréeff and R. Dronskowski, J. Phys. Chem. A, 2011, 115, 5461–5466 CrossRef CAS.
- S. Maintz, V. L. Deringer, A. L. Tchougréeff and R. Dronskowski, J. Comput. Chem., 2013, 34, 2557–2567 CrossRef CAS PubMed.
- S. Maintz, V. L. Deringer, A. L. Tchougréeff and R. Dronskowski, J. Comput. Chem., 2016, 37, 1030–1035 CrossRef CAS PubMed.
- S. Maintz, M. Esser and R. Dronskowski, Acta Phys. Pol., B, 2016, 47, 1165–1175 Search PubMed.
- R. Nelson, C. Ertural, J. George, V. L. Deringer, G. Hautier and R. Dronskowski, J. Comput. Chem., 2020, 41, 1931–1940 CrossRef CAS PubMed.
| This journal is © The Royal Society of Chemistry 2024 |