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