Vincent Obakachi | Computational Chemistry | Innovative Research Award

Posted on by The Scientist

Innovative Research Award

Vincent Obakachi
Durban University of Technology, South Africa

Vincent Obakachi
Affiliation Durban University of Technology
Country South Africa
Scopus ID 34873093100
Documents 36
Citations 998
h-index 13
Subject Area Computational Chemistry
Event The Scientist Global Awards
Google Scholar vib1VCIAAAAJ&hl

The Innovative Research Award recognizes research contributions that demonstrate scientific inquiry, methodological development, originality, and potential value to a relevant field of study. This article presents the academic profile of Vincent Obakachi of Durban University of Technology, South Africa, whose research subject area is computational chemistry. The profile brings together the supplied bibliometric indicators, the broader context of computational chemistry, and the relevance of research innovation to scientific advancement.  [1] [2]

Abstract

Vincent Obakachi is affiliated with Durban University of Technology in South Africa and is associated with the subject area of computational chemistry. The supplied Scopus profile records 36 documents, 998 citations, and an h-index of 13. These indicators provide a quantitative snapshot of indexed scholarly output and citation activity. Computational chemistry uses computational methods and theoretical models to investigate molecular structures, chemical properties, reaction pathways, and related phenomena. Its applications can support the interpretation of experimental results and the development of research hypotheses. [1]

Keywords

Vincent Obakachi; Innovative Research Award; computational chemistry; molecular modelling; theoretical chemistry; scientific computing; research productivity; citation analysis; bibliometrics; Durban University of Technology; South Africa; scholarly communication; research innovation.

Introduction

Computational chemistry is an interdisciplinary field that combines chemical theory, mathematical methods, and computer-based calculations to investigate the behaviour of atoms and molecules. Depending on the research question, it may involve quantum chemical calculations, molecular simulations, computational modelling, and the analysis of predicted molecular properties. These approaches can help researchers explore chemical systems that are difficult to characterize through experiments alone, while experimental validation remains important when interpreting computational predictions. [3]

Research Profile

Vincent Obakachi is identified in the supplied information as a researcher affiliated with Durban University of Technology, South Africa. His stated subject area is computational chemistry. His Scopus Author ID is 34873093100, which provides a database identifier for accessing the associated indexed author record. The profile can be consulted to verify indexed documents and review the publication information available through Scopus. [1]

Research Contributions

Computational chemistry contributes to modern chemical research by enabling theoretical analysis and numerical investigation of molecular systems. Common research approaches include quantum mechanical calculations, molecular mechanics, molecular dynamics, and computational methods for estimating structural, energetic, or electronic properties. The choice of method depends on the chemical system, the scientific question, available computational resources, and the accuracy required. [3]

Publications

The supplied Scopus profile data report 36 documents associated with Vincent Obakachi. The Scopus author record is the principal starting point for reviewing indexed publications, author attribution, document types, co-authorship, and citation information. For publication-level evaluation, readers should consult the linked author record and the original publisher pages. DOI identifiers, where available, can help locate the definitive article record and distinguish publications with similar titles or author names. [1] [4]

Research Impact

The supplied figures of 998 citations and an h-index of 13 provide two complementary indicators of the indexed research record. Citation totals reflect the number of recorded citations to publications included within a database’s coverage, while the h-index combines publication output and citation frequency into a single measure. The h-index is 13 when at least 13 publications have each received at least 13 citations, subject to the database’s underlying record and calculation at the time of measurement. [5]

Award Suitability

The supplied information establishes the profile details and bibliometric figures presented in this article; it does not independently establish a final award decision or verify individual research achievements. Any formal award determination should follow the organizer’s published eligibility requirements and evaluation procedures and be supported by review of the relevant evidence. The official award website provides the appropriate starting point for event-related information. [6]

Conclusion

Vincent Obakachi is identified in the supplied information as a computational chemistry researcher affiliated with Durban University of Technology in South Africa. The provided Scopus metrics report 36 documents, 998 citations, and an h-index of 13. These figures offer a concise quantitative overview of the associated indexed research record, while their interpretation requires attention to database coverage, field differences, and the date of retrieval. [1]

References

  1. Elsevier. (2026). Scopus author details: Vincent Obakachi, Author ID 34873093100.
    https://www.scopus.com/authid/detail.uri?authorId=34873093100
  2. Google. (2026). Google Scholar profile: Vincent Obakachi. Google Scholar.
    https://scholar.google.com/citations?user=vib1VCIAAAAJ&hl=en
  3. The global, regional, and national burden of cancer, 1990–2023, with forecasts to 2050: a systematic analysis for the Global Burden of Disease Study 2023.
    https://doi.org/10.1016/S0140-6736(25)01635-6
  4. Vitamin C Contents of Tropical Vegetables and Foods Determined by Voltammetric and Titrimetric Methods and Their Relevance to the Medicinal Uses of the Plants.
    https://doi.org/10.1016/S1452-3981(23)15270-9
  5. The Voltammetric and Titrimetric Determination of Ascorbic Acid Levels in Tropical Fruit Samples.
    https://doi.org/10.1016/S1452-3981(23)15128-5
  6. The Scientist Global Awards. (2026). Official award website.
    https://thescientists.net/

Julio Chagas | Computational Chemistry | Best Scholar Award

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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

Posted on by The Scientist

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]