Issue 40, 2023

Current stage and future development of Belgrade collisional and radiative databases/datasets of importance for molecular dynamics

Abstract

Atomic and molecular (A&M) databases that contain information about species, their identities and radiative/collisional processes are essential and helpful tools that are utilized in many fields of physics, chemistry, and chem/phys-informatics. Errors or inconsistencies in the datasets are a serious issue since they can lead to inaccurate predictions and generate problems with the modeling. This demonstrates that data curation efforts around A&M databases are still indispensable and that in the curation process studious attention is required. Therefore, we herein present research activities around Belgrade “nodes” – datasets of collision/radiative cross-sections and rates needed for spectroscopy analysis in various A&M, optical and plasma physics fields. Methodologies of our research and both present and future aspects of the applications are explained. We explored the possibility to extend our nodes towards building a new database on Judd–Ofelt parameters by using machine learning in order to predict optical properties of luminescence materials. In addition, we hope that public availability of our datasets and their graphical representations will also motivate others to investigate the potential of these data.

Graphical abstract: Current stage and future development of Belgrade collisional and radiative databases/datasets of importance for molecular dynamics

Article information

Article type
Review Article
Submitted
05 Pha 2023
Accepted
23 Leo 2023
First published
27 Leo 2023

Phys. Chem. Chem. Phys., 2023,25, 26972-26985

Current stage and future development of Belgrade collisional and radiative databases/datasets of importance for molecular dynamics

V. Vujčić, B. P. Marinković, V. A. Srećković, S. Tošić, D. Jevremović, L. M. Ignjatović, M. S. Rabasović, D. Šević, N. Simonović and N. J. Mason, Phys. Chem. Chem. Phys., 2023, 25, 26972 DOI: 10.1039/D3CP03752E

To request permission to reproduce material from this article, please go to the Copyright Clearance Center request page.

If you are an author contributing to an RSC publication, you do not need to request permission provided correct acknowledgement is given.

If you are the author of this article, you do not need to request permission to reproduce figures and diagrams provided correct acknowledgement is given. If you want to reproduce the whole article in a third-party publication (excluding your thesis/dissertation for which permission is not required) please go to the Copyright Clearance Center request page.

Read more about how to correctly acknowledge RSC content.

Social activity

Spotlight

Advertisements