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LUMPAC 2.0-Bridging Theory and Experiment in the Study of Luminescent Systems
José Diogo Lisboa Dutra1, Willyan Farias Oliveira1, Gustavo Santana Silva1
1Pople Computational Chemistry Laboratory, Department of Chemistry, Federal University of Sergipe, São Cristóvão, Brazil.
None:
There is no doubt about the relevance that lanthanide-based luminescent systems have gained in recent decades. These systems have applications in various technological fields, and the development of these materials has been of great scientific interest since the 1970s. We made the first version of the LUMPAC software available 10 years ago. In our publication, we highlighted the scarcity of studies concerning the use of theoretical computational methods to design new luminescent systems and to explain laboratory-observed phenomena involving such systems. In this work, we present the LUMPAC 2.0 software. We show how the first version contributed to increasing the number of studies involving theoretical computational methods, and we evaluate its use since its launch. This second version introduces highly relevant features and implementations and will undoubtedly be an important tool in new studies that will be carried out over the next few years.
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