Julio Chagas | Computational Chemistry | Best Scholar Award

Dr. Julio Chagas | Computational Chemistry | Best Scholar Award 

Postdoctoral Scholar | Northwestern University | United States

Dr. Julio Cesar Verli Chagas is an emerging scholar in theoretical and computational chemistry whose research advances the understanding of molecular electronic structure, excited-state dynamics, and frontier spectroscopic phenomena. His academic influence continues to grow, with 8 peer-reviewed journal publications, 7 completed or ongoing research projects, and a citation impact reflected by 26 citations, an h-index of 3, and additional Scopus metrics indicating 19 citations across 14 documents. His work centers on multireference quantum chemistry methods, enabling accurate modeling of electronically complex systems and contributing to improved predictive capabilities in chemical physics. Chagas has notably elucidated excited-state manifolds in conjugated and photoactive molecules, providing insights that support the development of advanced optical materials and next-generation photonic applications. His research portfolio integrates high-level theory with cutting-edge experimentation, particularly through investigations of molecular optical responses and entangled-photon spectroscopy—an emerging direction that strengthens the interface between quantum chemistry and quantum optics. International collaborations have been central to his scientific contributions, including work with Prof. Hans Lischka on excited-state computational methodologies and Prof. George Schatz on optical and nonlinear spectroscopic modeling, enhancing the interdisciplinary reach and global relevance of his research. He has presented at over 25 scientific conferences and actively contributes to collaborative scientific initiatives in the United States, Brazil, and Europe. Through rigorous modeling, innovative methodological development, and cross-disciplinary research, Chagas’ work provides foundational insights with potential societal impact in areas such as photonic materials, spectroscopy-driven chemical sensing, and quantum-enhanced measurement technologies. His growing scholarly footprint reflects a trajectory of continued excellence and expanding international recognition.

Profiles: Google Scholar | Scopus | ORCID | ResearchGate

Featured Publications

  1. Milanez, B. D., Chagas, J. C. V., Pinheiro Jr, M., Aquino, A. J. A., & Lischka, H. (2020). Effects on the aromaticity and on the biradicaloid nature of acenes by the inclusion of a cyclobutadiene linkage. Theoretical Chemistry Accounts, 139(7), 113. Citations: 7

  2. Dos Santos, L. G. F., Chagas, J. C. V., Ferrão, L. F. A., Aquino, A. J. A., Nieman, R., & Lischka, H. (2025). Tuning aromaticity, stability and radicaloid character of periacenes by chemical BN doping. Journal of Computational Chemistry, 46(3), e70039. Citations: 5

  3. Chagas, J. C. V., Milanez, B. D., Oliveira, V. P., Pinheiro Jr, M., Ferrão, L. F. A., & Aquino, A. J. A. (2024). A multi-descriptor analysis of substituent effects on the structure and aromaticity of benzene derivatives: π-conjugation versus charge effects. Journal of Computational Chemistry, 45(12), 863–877. Citations: 4

  4. Plasser, F., Lischka, H., Shepard, R., Szalay, P. G., Pitzer, R. M., Alves, R. L. R., Chagas, J. C. V., … (2025). COLUMBUS─An efficient and general program package for ground and excited state computations including spin–orbit couplings and dynamics. The Journal of Physical Chemistry A, 129(28), 6482–6517. Citations: 2

  5. Pimentel, J. V. M., Chagas, J. C. V., Pinheiro Jr, M., Aquino, A. J. A., & Lischka, H. (2025). Thermally activated delayed fluorescence in B, N-substituted tetracene derivatives: A theoretical pathway to enhanced OLED materials. The Journal of Physical Chemistry A, 129(2), 470–480. Citations: 2

Eveline Bezerra | Computational Chemistry | Best Researcher Award

Prof. Dr. Eveline Bezerra | Computational Chemistry | Best Researcher Award

Professor | Federal Rural University of Semi-Arid | Brazil

Dr. Eveline Matias Bezerra is a Brazilian physicist and researcher recognized for her interdisciplinary work bridging atomic and molecular physics, quantum biochemistry, and nanotechnology applied to health. Her research integrates advanced computational simulations and molecular modeling to explore the structural, electronic, and optical properties of molecules, biomolecules, and nanostructured materials, contributing to the development of novel therapeutic and technological applications. With a focus on neurodegenerative diseases, cancer, and Chagas disease, her studies have provided quantum-level insights into drug-protein interactions and the behavior of bioactive compounds at the nanoscale. She has published 20 scientific papers, which have collectively received 391 citations by 285 documents, and she holds an h-index of 13, demonstrating her growing international impact in computational and theoretical biophysics. Dr. Bezerra’s contributions have been featured in prominent journals, including ACS Chemical Neuroscience and RSC Advances, where her recent works addressed molecular mechanisms in Alzheimer’s therapy and optical properties of donor–acceptor systems. Actively engaged in national and international collaborations, she plays a pivotal role in advancing quantum biochemistry and materials science research in Brazil. Beyond her publications, Dr. Bezerra has made significant contributions to scientific mentoring and academic development, guiding students in physics, biotechnology, and pharmaceutical sciences. Her work exemplifies the integration of computational physics and biomedical innovation, contributing to societal health solutions and technological progress through interdisciplinary science.

Profiles: Google Scholar | Scopus | ORCID | ResearchGate

Featured Publications

  1. Da Costa, R. F., Freire, V. N., Bezerra, E. M., Cavada, B. S., Caetano, E. W. S., & others. (2012). Explaining statin inhibition effectiveness of HMG-CoA reductase by quantum biochemistry computations. Physical Chemistry Chemical Physics, 14(4), 1389–1398. [Citations: 98]

  2. Dantas, D. S., Oliveira, J. I. N., Neto, J. X. L., da Costa, R. F., Bezerra, E. M., Freire, V. N., & others. (2015). Quantum molecular modelling of ibuprofen bound to human serum albumin. RSC Advances, 5(61), 49439–49450. [Citations: 52]

  3. Zanatta, G., Nunes, G., Bezerra, E. M., da Costa, R. F., Martins, A., Caetano, E. W. S., & others. (2014). Antipsychotic haloperidol binding to the human dopamine D3 receptor: Beyond docking through QM/MM refinement toward the design of improved schizophrenia medicines. ACS Chemical Neuroscience, 5(10), 1041–1054. [Citations: 46]

  4. Tessarolo, L. D., Mello, C. P., Lima, D. B., Magalhães, E. P., Bezerra, E. M., & others. (2018). Nanoencapsulation of benznidazole in calcium carbonate increases its selectivity to Trypanosoma cruzi. Parasitology, 145(9), 1191–1198. [Citations: 34]

  5. Zanatta, G., Barroso-Neto, I. L., Bambini-Junior, V., Dutra, M. F., Bezerra, E. M., & others. (2012). Quantum biochemistry description of the human dopamine D3 receptor in complex with the selective antagonist eticlopride. Journal of Proteomics & Bioinformatics, 5, 155–162. [Citations: 32]