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<scp>LUMPAC</scp> 2.0—Bridging Theory and Experiment in the Study of Luminescent Systems

José Diogo L. Dutra, Willyan F. Oliveira, Gustavo S. Silva, Thiago Dias Bispo, Ricardo O. Freire

2025Journal of Computational Chemistry12 citationsDOIOpen Access PDF

Abstract

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.

Topics & Concepts

Bridging (networking)LuminescenceComputer scienceChemistryNanotechnologyMaterials scienceOptoelectronicsComputer securityLanthanide and Transition Metal ComplexesLuminescence Properties of Advanced MaterialsAdvanced MRI Techniques and Applications
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