Computational theoretical chemist with expertise in quantum chemical modeling of luminescent properties of trivalent lanthanide complexes, with experience spanning inorganic chemistry, physical chemistry, and software development for computational spectroscopy. Member of the Pople Computational Chemistry Laboratory.
EDUCATION
PhD candidate in Computational Theoretical Chemistry at the Graduate Program in Chemistry (PPGQ), Federal University of Sergipe (UFS), Brazil; MSc in Computational Theoretical Chemistry from PPGQ/UFS; BSc in Chemistry (Teaching Degree) from the Federal University of Sergipe; and Technical Degree in Agriculture from the Federal Institute of Sergipe (IFS), with academic training focused on computational chemistry, inorganic chemistry, and theoretical studies of luminescent properties of trivalent lanthanide complexes.
RESEARCH, TEACHING, or OTHER INTERESTS
Physical and Theoretical Chemistry, Inorganic Chemistry, Spectroscopy
LUMPAC 2.0—Bridging Theory and Experiment in the Study of Luminescent Systems José Diogo Lisboa Dutra, Willyan Farias Oliveira, Gustavo Santana Silva, Thiago Dias Bispo, Ricardo Oliveira Freire Journal of Computational Chemistry, 2025 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.
Boato do monóxido de di-hidrogênio (DHMO): um levantamento histórico, estudo do artigo “DHMO, die wässrige gefahr” e a importância da educação científica WF Oliveira DQI-Departamento de Química–São Cristóvão-Presencial , 2026 2026
Influence of internal conversion and intersystem crossing rates on the theoretical emission quantum yield of ternary Eu3+ complexes WF Oliveira, BRL Oliveira, GS Santos, R Ilmi, JDL Dutra Physica B: Condensed Matter, 418305 , 2026 2026 Citations: 1
Photo-and electro-luminescence studies of a new nine-coordinate ternary Eu (III) complex R Ilmi, X Xia, WF Oliveira, JDL Dutra, L Zhou, WY Wong, PR Raithby, ... Journal of Photochemistry and Photobiology A: Chemistry, 116740 , 2025 2025 Citations: 3
Naphthylimide Chemosensor Based on Anion− π Interactions: A Promising Tool for Environmental Monitoring JR da Silva, VF da Silva, WF Oliveira, RO Freire, ... ACS omega 10 (28), 30684-30694 , 2025 2025 Citations: 2
Analysis of fracture characteristics and biodegradation resistance of natural fibers geotextiles from Typha domingensis, Eleocharis sp., and Syagrus coronata, under … LDV Santos, FSR Holanda, JJMB Filho, WF Oliveira, EG da Silva, ... Discover Applied Sciences 7 (7), 751 , 2025 2025
LUMPAC 2.0—Bridging Theory and Experiment in the Study of Luminescent Systems JDL Dutra, WF Oliveira, GS Silva, TD Bispo, RO Freire Journal of Computational Chemistry 46 (17), e70143 , 2025 2025 Citations: 13
Synthesis, characterization of europium (III) and terbium (III) complexes containing lawsone ligand and their interaction with DNA, HSA, and topoisomerases JS Rocha, GBS Pereira, MV Palmeira-Mello, WF Oliveira, JL Dutra, ... Journal of Molecular Structure 1333, 141790 , 2025 2025 Citations: 2
Desenvolvimento e aplicação do LUMPAC 2.0 no estudo da luminescência em compostos de Eu 3+ WF Oliveira Pós-Graduação em Química , 2025 2025
Deciphering intersystem crossing and energy transfer mechanisms in a nonacoordinated ternary europium (iii) complex: a combined spectroscopic and theoretical study H Al-Sharji, R Ilmi, WF Oliveira, BS Al-Saadi, JDL Dutra, OK Abou-Zied, ... RSC advances 14 (44), 32573-32582 , 2024 2024 Citations: 9
Comparative Analysis of Biodegradation Resistance in Natural Geotextile Fibers LDV Santos, FSR Holanda, WF Oliveira, EG Silva, EM Sussuchi, ... 2023
Radiochromic Fricke gels with eriochrome cyanine R for radiotherapy dosimetry WS de Almeida, AVS Alves, WF Oliveira, MAL da Silveira, SO de Souza, ... Radiation Physics and Chemistry 191, 109830 , 2022 2022 Citations: 17
Modelagem estrutural e da transferência de energia em complexos de európio contendo ligantes βeta-dicetonatos WF Oliveira Universidade Federal de Sergipe-Pró-Reitoria de Pós-Graduação e Pesquisa … , 2022 2022
Single component white-OLEDs derived from tris (β-diketonato) europium (iii) complexes bearing the large bite angle N^ N 2-(4-thiazolyl) benzimidazole ligand R Ilmi, J Yin, JDL Dutra, NK Al Rasbi, WF Oliveira, L Zhou, WY Wong, ... Dalton Transactions 51 (37), 14228-14242 , 2022 2022 Citations: 30
Synthesis and photophysical properties of ternary β-diketonate europium (III) complexes incorporating bipyridine and its derivatives IJ Al-Busaidi, R Ilmi, D Zhang, JDL Dutra, WF Oliveira, NK Al Rasbi, ... Dyes and Pigments 197, 109879 , 2022 2022 Citations: 50
Estudo teórico do processo de transferência de energia em complexos de európio luminescentes WF Oliveira Universidade Federal de Sergipe-Pró-reitoria de Pós-Graduação e Pesquisa … , 2021 2021
Correction: utilization of a Pt (II) di-yne chromophore incorporating a 2, 2′-bipyridine-5, 5′-diyl spacer as a chelate to synthesize a green and red emitting d–f–d … IJ Al-Busaidi, R Ilmi, JDL Dutra, WF Oliveira, A Haque, NK Al Rasbi, ... Dalton Transactions 50 (5), 1923-1923 , 2021 2021 Citations: 1
Utilization of a Pt (II) di-yne chromophore incorporating a 2, 2′-bipyridine-5, 5′-diyl spacer as a chelate to synthesize a green and red emitting d–f–d heterotrinuclear complex IJ Al-Busaidi, R Ilmi, JDL Dutra, WF Oliveira, A Haque, NK Al Rasbi, ... Dalton Transactions 50 (4), 1465-1477 , 2021 2021 Citations: 36
Bright and efficient red emitting electroluminescent devices fabricated from ternary europium complexes MS Khan, R Ilmi, W Sun, JDL Dutra, WF Oliveira, L Zhou, WY Wong, ... Journal of Materials Chemistry C 8 (16), 5600-5612 , 2020 2020 Citations: 51
MOST CITED SCHOLAR PUBLICATIONS
Bright and efficient red emitting electroluminescent devices fabricated from ternary europium complexes MS Khan, R Ilmi, W Sun, JDL Dutra, WF Oliveira, L Zhou, WY Wong, ... Journal of Materials Chemistry C 8 (16), 5600-5612 , 2020 2020 Citations: 51
Synthesis and photophysical properties of ternary β-diketonate europium (III) complexes incorporating bipyridine and its derivatives IJ Al-Busaidi, R Ilmi, D Zhang, JDL Dutra, WF Oliveira, NK Al Rasbi, ... Dyes and Pigments 197, 109879 , 2022 2022 Citations: 50
Utilization of a Pt (II) di-yne chromophore incorporating a 2, 2′-bipyridine-5, 5′-diyl spacer as a chelate to synthesize a green and red emitting d–f–d heterotrinuclear complex IJ Al-Busaidi, R Ilmi, JDL Dutra, WF Oliveira, A Haque, NK Al Rasbi, ... Dalton Transactions 50 (4), 1465-1477 , 2021 2021 Citations: 36
Single component white-OLEDs derived from tris (β-diketonato) europium (iii) complexes bearing the large bite angle N^ N 2-(4-thiazolyl) benzimidazole ligand R Ilmi, J Yin, JDL Dutra, NK Al Rasbi, WF Oliveira, L Zhou, WY Wong, ... Dalton Transactions 51 (37), 14228-14242 , 2022 2022 Citations: 30
Radiochromic Fricke gels with eriochrome cyanine R for radiotherapy dosimetry WS de Almeida, AVS Alves, WF Oliveira, MAL da Silveira, SO de Souza, ... Radiation Physics and Chemistry 191, 109830 , 2022 2022 Citations: 17
LUMPAC 2.0—Bridging Theory and Experiment in the Study of Luminescent Systems JDL Dutra, WF Oliveira, GS Silva, TD Bispo, RO Freire Journal of Computational Chemistry 46 (17), e70143 , 2025 2025 Citations: 13
Deciphering intersystem crossing and energy transfer mechanisms in a nonacoordinated ternary europium (iii) complex: a combined spectroscopic and theoretical study H Al-Sharji, R Ilmi, WF Oliveira, BS Al-Saadi, JDL Dutra, OK Abou-Zied, ... RSC advances 14 (44), 32573-32582 , 2024 2024 Citations: 9
Photo-and electro-luminescence studies of a new nine-coordinate ternary Eu (III) complex R Ilmi, X Xia, WF Oliveira, JDL Dutra, L Zhou, WY Wong, PR Raithby, ... Journal of Photochemistry and Photobiology A: Chemistry, 116740 , 2025 2025 Citations: 3
Naphthylimide Chemosensor Based on Anion− π Interactions: A Promising Tool for Environmental Monitoring JR da Silva, VF da Silva, WF Oliveira, RO Freire, ... ACS omega 10 (28), 30684-30694 , 2025 2025 Citations: 2
Synthesis, characterization of europium (III) and terbium (III) complexes containing lawsone ligand and their interaction with DNA, HSA, and topoisomerases JS Rocha, GBS Pereira, MV Palmeira-Mello, WF Oliveira, JL Dutra, ... Journal of Molecular Structure 1333, 141790 , 2025 2025 Citations: 2
Influence of internal conversion and intersystem crossing rates on the theoretical emission quantum yield of ternary Eu3+ complexes WF Oliveira, BRL Oliveira, GS Santos, R Ilmi, JDL Dutra Physica B: Condensed Matter, 418305 , 2026 2026 Citations: 1
Correction: utilization of a Pt (II) di-yne chromophore incorporating a 2, 2′-bipyridine-5, 5′-diyl spacer as a chelate to synthesize a green and red emitting d–f–d … IJ Al-Busaidi, R Ilmi, JDL Dutra, WF Oliveira, A Haque, NK Al Rasbi, ... Dalton Transactions 50 (5), 1923-1923 , 2021 2021 Citations: 1
Boato do monóxido de di-hidrogênio (DHMO): um levantamento histórico, estudo do artigo “DHMO, die wässrige gefahr” e a importância da educação científica WF Oliveira DQI-Departamento de Química–São Cristóvão-Presencial , 2026 2026
Analysis of fracture characteristics and biodegradation resistance of natural fibers geotextiles from Typha domingensis, Eleocharis sp., and Syagrus coronata, under … LDV Santos, FSR Holanda, JJMB Filho, WF Oliveira, EG da Silva, ... Discover Applied Sciences 7 (7), 751 , 2025 2025
Desenvolvimento e aplicação do LUMPAC 2.0 no estudo da luminescência em compostos de Eu 3+ WF Oliveira Pós-Graduação em Química , 2025 2025
Comparative Analysis of Biodegradation Resistance in Natural Geotextile Fibers LDV Santos, FSR Holanda, WF Oliveira, EG Silva, EM Sussuchi, ... 2023
Modelagem estrutural e da transferência de energia em complexos de európio contendo ligantes βeta-dicetonatos WF Oliveira Universidade Federal de Sergipe-Pró-Reitoria de Pós-Graduação e Pesquisa … , 2022 2022
Estudo teórico do processo de transferência de energia em complexos de európio luminescentes WF Oliveira Universidade Federal de Sergipe-Pró-reitoria de Pós-Graduação e Pesquisa … , 2021 2021
RESEARCH OUTPUTS (PATENTS, SOFTWARE, PUBLICATIONS, PRODUCTS)
Developer of LUMPAC 2.0, a computational chemistry software designed for the theoretical investigation of luminescent properties of trivalent lanthanide complexes, currently used by researchers to support studies in lanthanide photophysics and computational spectroscopy.