SCHEDULED MAINTENANCE
Current stage and future development of Belgrade collisional and radiative databases/datasets of importance for molecular dynamics
*a
Bratislav P.
Marinković,
b
Vladimir A.
Srećković,
b
Sanja
Tošić,
b
Darko
Jevremović,
a
Maja S.
Rabasović,
b
Dragutin
Šević,
b
Nenad
Simonović
b
and
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.
- This article is part of the themed collections: Molecular Dynamics in the Gas Phase and 2023 PCCP Reviews
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