Band Gap and Reorganization Energy Prediction of Conducting Polymers by the Integration of Machine Learning and Density Functional Theory.

Haciefendioglu T., Yildirim E.

Journal of chemical information and modeling, vol.65, pp.5360-5369, 2025 (SCI-Expanded, Scopus) identifier identifier identifier

  • Publication Type: Article / Article
  • Volume: 65
  • Publication Date: 2025
  • Doi Number: 10.1021/acs.jcim.5c00345
  • Journal Name: Journal of chemical information and modeling
  • Journal Indexes: Science Citation Index Expanded (SCI-EXPANDED), Scopus, Applied Science & Technology Source, Compendex, Computer & Applied Sciences, MEDLINE
  • Page Numbers: pp.5360-5369
  • Middle East Technical University Affiliated: Yes