Dejan Milenkovic | Computational Chemistry | Research Excellence Award

Dr. Dejan Milenkovic | Computational Chemistry | Research Excellence Award 

Dr. Dejan Milenkovic | Computational Chemistry | Principal Research Fellow at University of Kragujevac Rectorate | Serbia

Dr. Dejan Milenkovic is a distinguished computational chemist recognized for his impactful contributions to theoretical chemistry, molecular modeling, reaction mechanism analysis, and antioxidant activity investigations. Dr. Dejan Milenkovic holds a strong academic foundation, including advanced doctoral training in chemistry, which established his expertise in quantum chemical simulations, density functional theory, and computational approaches to studying molecular reactivity. His professional experience spans extensive research roles in academia and scientific institutes, where he has contributed to high-impact publications, mentored young scientists, and collaborated on international research focused on molecular structure analysis, radical scavenging mechanisms, solvation thermodynamics, and material behavior at the atomic level. Dr. Dejan Milenkovic’s research interests include computational chemistry, theoretical molecular science, antioxidant mechanisms, structure–property relationships, and the study of biologically active compounds through advanced modeling techniques. His research skills encompass DFT calculations, molecular orbital analysis, mechanistic interpretation, reaction pathway exploration, quantum chemical thermodynamics, and the integration of computational results with experimental findings. Throughout his career, Dr. Dejan Milenkovic has earned numerous recognitions for scholarly excellence, reflected in his strong citation record and influential scientific contributions. In conclusion, Dr. Dejan Milenkovic stands as a leading figure in computational chemistry whose rigorous research, academic service, and scientific innovation continue to influence molecular science and advance global chemical research.

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Featured Publications

Revisiting the solvation enthalpies and free energies of the proton and electron in various solvents
– Computational and Theoretical Chemistry, 2016 | Citations: 239
Antioxidative mechanisms in chlorogenic acid
– Food Chemistry, 2017 | Citations: 159
PM6 and DFT study of free radical scavenging activity of morin
– Food Chemistry, 2012 | Citations: 137
Advanced oxidation process of coumarins by hydroxyl radical: Towards a new mechanism leading to less toxic products
– Chemical Engineering Journal, 2020 | Citations: 96
Antiradical activity of catecholamines and metabolites of dopamine: Theoretical and experimental study
– Physical Chemistry Chemical Physics, 2017 | Citations: 93
Theoretical study of the thermodynamics of mechanisms underlying antiradical activity of cinnamic acid derivatives
– Food Chemistry, 2018 | Citations: 81

KRISHAN KUMAR | Organic Chemistry and Computational Chemistry | Young Scientist Award

Dr. KRISHAN KUMAR | Organic Chemistry and Computational Chemistry | Young Scientist Award

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Dr. Krishan Kumar is a dedicated researcher in the field of organic and computational chemistry with expertise in functional materials for optoelectronic devices. He has contributed significantly to the design and synthesis of hole transport materials (HTMs) for OLED applications. His work integrates experimental and theoretical approaches, aiming to enhance energy-efficient electronic materials. With extensive research experience, he has collaborated with esteemed institutions worldwide and has earned recognition for his contributions to organic electronics.

Education

Dr. Kumar obtained his Ph.D. in Chemistry from the Indian Institute of Technology (IIT) Mandi, where he specialized in the synthesis and theoretical evaluation of organic small molecules for OLED applications. He completed his postdoctoral research at the University of British Columbia, focusing on functional organic materials for optoelectronic devices. He also holds a Master of Science in Chemistry from Hindu College, University of Delhi, with a focus on organocatalysis, and a Bachelor of Science in Chemistry (Hons.) from Maharishi Dayanand University.

Experience

Dr. Kumar has amassed over six years of research experience, including his tenure as a Teaching Assistant at IIT Mandi, where he guided master’s students in OLED research. He has worked extensively on C-H activation and functionalization of heterocyclic moieties, organic transformations, and material synthesis. He was also a Junior Research Fellow (JRF) in a DRDO-sponsored project at the University of Delhi. His expertise extends to computational chemistry, where he evaluates molecular interactions and electronic properties.

Research Interests

Dr. Kumar’s research focuses on designing and synthesizing functional materials for optoelectronic devices, particularly OLEDs. His interests include C-H activation, functionalization of heterocyclic moieties, theoretical computational chemistry, heterogeneous catalysis, and the development of electron and hole transport materials. His work aims to improve material efficiency and stability for practical optoelectronic applications.

Awards

Dr. Kumar has received several prestigious awards, including the Young Researcher Award in Organic and Computational Chemistry (VIRA 2024) and the Best Researcher Award (25th International Research Awards on Advanced Nanomaterials and Nanotechnology 2024). He has also been recognized for his achievements in national-level exams such as JAM, GATE, and CSIR-NET, demonstrating his academic excellence.

Selected Publications

Kumar, K., et al. (2023). “Computational Evaluation with Experimental Validation: Arylamine-Based Functional Hole-Transport Materials for Energy-Efficient Solution-Processed OLEDs.” Journal of Physical Chemistry C. 127, 18560-18573. DOI: 10.1021/acs.jpcc.3c02357. Cited by: 20+ articles.

Kumar, K., et al. (2023). “Impact of Peripheral Functionalities around a Pyridine Core on Molecular Arrangement: Potential Hole Transport Materials.” Crystal Growth & Design. 23, 8771-8782. DOI: 10.1021/acs.cgd.3c00911. Cited by: 15+ articles.

Kumar, K., et al. (2024). “Indolo[3,2-a]carbazoles as Engineered Materials for Optoelectronic Applications: Synthesis, Structural Insights, and Computational Screening.” Journal of Organic Chemistry. 89, 7394–7407. DOI: 10.1021/acs.joc.3c02561. Cited by: 10+ articles.

Kumar, K., et al. (2024). “Sterically Crowded Donor-Rich Imidazoles: Design, Synthesis, and Application in Solution-Processed OLEDs.” Langmuir. 40, 5137–5150. DOI: 10.1021/acs.langmuir.3c03059. Cited by: 8+ articles.

Kumar, K., et al. (2024). “Exploring Acceptor-Functionalized Perylenes as HTMs for Solution-Processed OLEDs with Good Brightness.” ACS Applied Electronic Materials. 6, 3874-3883. DOI: 10.1021/acsaelm.4c00469. Cited by: 12+ articles.

Kumar, K., et al. (2024). “Charge Transporting and Thermally Activated Delayed Fluorescence Materials for OLED Applications.” Physical Chemistry Chemical Physics. 26, 3711-3754. DOI: 10.1039/D3CP03214K. Cited by: 18+ articles.

Kumar, K., et al. (2023). “Pyridine-Annulated Functional Fused Indole as a Hole Transport Material for Solution-Processed OLEDs.” ACS Applied Optical Materials. 12, 1930-1937. DOI: 10.1021/acsaom.3c00156. Cited by: 9+ articles.

Conclusion

Dr. Krishan Kumar’s outstanding academic background, innovative research in organic and computational chemistry, international collaborations, and mentorship contributions make him an ideal candidate for the Research for Young Scientist Award. His work is not only impactful in fundamental science but also holds potential for real-world applications in energy-efficient OLED technology.