Dr. Jean Moto Ongagna | Theoretical Chemistry | Catalysis Award

Dr. Jean Moto Ongagna | Theoretical Chemistry | Catalysis Award

Dr. Jean Moto Ongagna | Theoretical Chemistry | Lecturer – University of Douala-Cameroon , Cameroon

Dr. Jean Moto Ongagna is a Cameroonian researcher specializing in Theoretical chemistry and Computational Chemistry . He obtained his Ph.D. from the University of Douala in 2021. His expertise spans Density Functional Theory (DFT), Pharmacokinetics (ADMET), Molecular Docking, Molecular Dynamics (MD), and ab initio Molecular Dynamics (ADMP). Dr. Ongagna has contributed significantly to computational chemistry, particularly in studying metal complexes, chemical bonding, and reaction mechanisms. He has participated in prestigious international conferences and workshops, presenting groundbreaking research on chemical bonding interactions. With numerous publications in high-impact journals such as RSC Advances and the International Journal of Quantum Chemistry, his work advances the understanding of transition metal complexes and their applications. He actively collaborates with researchers worldwide and is dedicated to developing computational tools for chemical and biological systems.

Professional Profile :Ā 

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Summary of Suitability for Award:

Dr. Jean Moto Ongagna is an outstanding candidate for the “Catalysis Awards”, given his significant contributions to computational catalysis and theoretical chemistry. His research extensively applies Density Functional Theory (DFT), Quantum Chemical Calculations, and Molecular Dynamics (MD) to investigate transition metal complexes, non-standard chemical bonding, and catalytic reaction mechanisms. His studies provide deep insights into metal-ligand interactions, catalytic efficiency, and reaction pathways, which are fundamental for designing novel catalytic systems. Dr. Jean Moto Ongagna’s research in computational catalysis, transition metal chemistry, and theoretical modeling aligns perfectly with the objectives of the “Catalysis Awards”. His work advances the understanding of catalyst behavior, reaction mechanisms, and molecular interactions, making a substantial impact on modern catalysis research. His ability to integrate quantum chemistry tools with catalytic design positions him as a highly suitable candidate for this prestigious recognition.

šŸŽ“Education:

Dr. Jean Moto Ongagna pursued his higher education at the University of Douala, Cameroon. He earned a Ph.D. in Theoretical and Computational Chemistry (2021), focusing on Density Functional Theory (DFT) and molecular simulations. In 2016, he completed his Masterā€™s degree in the same field, where he explored the computational analysis of metal-ligand interactions. His Bachelorā€™s degree in Physical Chemistry (2013) laid the foundation for his research on quantum chemistry and molecular modeling. Before university, he completed his GCE Advanced Level (BaccalaurĆ©at D) in 2008 at Laic Private College “La LibertĆ©” in Douala. His education equipped him with expertise in quantum chemistry, molecular docking, and theoretical modeling, enabling him to contribute to cutting-edge research. Throughout his academic journey, he attended specialized workshops and conferences to enhance his skills in computational chemistry, continuously refining his expertise in quantum simulations and advanced chemical theories.

šŸ¢Work Experience:

Dr. Jean Moto Ongagna has extensive experience in Theoretical chemistry and Computational Chemistry, with expertise in Density Functional Theory (DFT), Molecular Docking, Pharmacokinetics (ADMET), and ab initio Molecular Dynamics (ADMP). He has actively participated in international conferences, presenting research on transition metal complexes, chemical bonding, and molecular interactions. He has contributed to significant projects involving the computational study of catalysts, biomolecular interactions, and pharmaceutical compounds. Dr. Ongagna has also collaborated with renowned institutions and researchers worldwide, publishing extensively in high-impact journals. His research experience includes developing and applying quantum chemical tools for investigating metal-ligand interactions and reaction mechanisms. He has been involved in multiple computational chemistry workshops, enhancing his knowledge of secondary metabolite discovery, quantum topology, and electronic structure theory. His contributions have led to a deeper understanding of non-standard chemical bonding and have implications for catalysis, drug design, and materials science.

šŸ…Awards:Ā 

Dr. Jean Moto Ongagna has received multiple recognitions for his contributions to Theoretical and Computational Chemistry. He has been invited as a speaker at international conferences, including the 4th Commonwealth Chemistry Posters (2023) and the Virtual Conference on Chemistry and Its Applications (2021, 2022). His research on transition metal complexes and quantum chemistry has been published in high-impact journals such as RSC Advances and the International Journal of Quantum Chemistry. He has received accolades for his computational investigations on catalytic and biomolecular systems, contributing to the advancement of quantum chemical methodologies. His participation in scientific workshops at the University of Buea (Cameroon) and Technische UniversitƤt Dresden (Germany) further highlights his academic excellence. His continuous engagement in international scientific discussions and collaborations has strengthened his reputation as a leading researcher in quantum chemistry and molecular modeling.

šŸ”¬Research Focus:

Dr. Jean Moto Ongagna’s research focuses on Theoretical and Computational Chemistry, particularly Density Functional Theory (DFT), Quantum Chemical Calculations, Molecular Docking, Pharmacokinetics (ADMET), and Molecular Dynamics (MD). He specializes in studying transition metal complexes, non-standard chemical bonds, and catalytic reactions. His work involves topological analysis of chemical interactions using advanced computational techniques such as Quantum Theory of Atoms in Molecules (QTAIM), Energy Decomposition Analysis (EDA), and Natural Bond Orbital (NBO) analysis. He has made significant contributions to understanding palladium complexes, Dielsā€“Alder reactions, and bioactive compounds. His research extends to computational drug discovery, antimicrobial compounds, and bioinorganic chemistry, aiming to bridge the gap between theoretical modeling and experimental applications. By integrating quantum chemical methods with molecular simulations, his studies provide valuable insights into reaction mechanisms, electronic structures, and potential applications in pharmaceuticals, catalysis, and material science.

Publication Top Notes:

Deciphering the Influence of Alkylene Bridged and Chelating Mode on Pdā€”C and Pdā€”X (X = Cl, Br, and I) Bonding Interaction Within Bisā€(NHC)ā€Palladium Complexes Using Quantum Chemistry Tools

Authors: GaĆ«l Mouzong Dā€™Ambassa, Jean Moto Ongagna, Adjieufack Abel Idrice, DĆ©sirĆ© Bikele Mama

Year: 2024

Computational Exploration of the Impact of Lowā€Spin and Highā€Spin Ground State on the Chelating Ability of Dimethylglyoxime Ligand on Dihalo Transition Metal: A QTAIM, EDA, and CDA Analysis

Authors: Daniel Lissouck, Suzane Leonie Djendo Mazia, GaĆ«l Mouzong Dā€™Ambassa, Jean Moto Ongagna

Year: 2024

Deciphering the Influence of PdII and PdIV Oxidation States on Non-Standard Chemical Bonds Within Bis(N-Heterocyclic Carbene) Complexes: Insights from DFT

Authors: GaĆ«l Mouzong Dā€™Ambassa, Jean Moto Ongagna, Adjieufack Abel Idrice, DĆ©sirĆ© Bikele Mama

Year: 2024

Exploring the Mechanism of the Intramolecular Dielsā€“Alder Reaction of (2E,4Z,6Z)-2(allyloxy)cycloocta-2,4,6-trien-1-one Using Bonding Evolution Theory

Authors: Jean Moto Ongagna, GaĆ«l Mouzong Dā€™Ambassa

Year: 2023

In Vitro and In Silico Studies of Antibacterial Activities of Secofriedelane Derivatives from Senna alata (L) Roxb

Authors: Jean Moto Ongagna, GaĆ«l Mouzong Dā€™Ambassa

Year: 2023

How a Chromium Tricarbonyl Complex Catalyzes the [3 + 2] Cycloaddition Reaction of N-Substituted Phenylnitrones with Styrene: A Molecular Electron Density Theory Analysis

Authors: Jean Moto Ongagna, GaĆ«l Mouzong Dā€™Ambassa

Year: 2023

Insight into the Antioxidant and Antiradical Properties of Colorotane Sesquiterpenes Extracted from Warburgia ugandensis: Theoretical Evaluation

Authors: Jean Moto Ongagna, GaĆ«l Mouzong Dā€™Ambassa

Year: 2021

Topological Unraveling of the [3+2] Cycloaddition (32CA) Reaction Between N-Methylphenylnitrone and Styrene Catalyzed by the Chromium Tricarbonyl Complex Using Electron Localization Function and Catastrophe Theory

Authors: Jean Moto Ongagna, GaĆ«l Mouzong Dā€™Ambassa

Year: 2021

B3LYP, M06 and B3PW91 DFT Assignment of nd8 Metal-Bis-(N-Heterocyclic Carbene) Complexes

Authors: Jean Moto Ongagna, GaĆ«l Mouzong Dā€™Ambassa

Year: 2020

 

 

 

Shafiq Ur Rehman | Computational Chemistry | Best Researcher Award

Dr. Shafiq Ur Rehman | Computational Chemistry | Best Researcher Award

Doctorate at School of Science, RMIT University, 124 La Trobe Street, 3001 Melbourne, Victoria, Australia. China

Shafiq Ur Rehman is a dedicated researcher and academic in the field of condensed matter physics and materials science. His extensive education and professional journey have equipped him with a robust knowledge base and a diverse skill set, enabling him to make significant contributions to his field. He has received numerous awards for his academic excellence and research impact and has published extensively in high-impact journals.

Author Metrics

Google Scholar Profile

Shafiq has published numerous research papers, contributing to his impressive citation record and h-index. His work is widely recognized and cited in the scientific community, reflecting the importance and relevance of his research.

Citations: 730

h-index: 14

i10-index: 18

Education

2007.01-2009.01 B.Sc. Physics and Mathematics, University of Peshawar, Pakistan

Shafiq completed his Bachelor of Science in Physics and Mathematics at the University of Peshawar, laying a strong foundation in these core scientific disciplines.

2009.09-2011.04 M.Sc. Physics, Hazara University, Pakistan

He pursued a Master of Science in Physics at Hazara University, excelling in his studies and earning a Gold Medal for his outstanding performance.

2011.09-2014.01 M.Phil. Physics, Hazara University, Pakistan

Continuing at Hazara University, Shafiq completed his M.Phil. in Physics, engaging in focused research and further developing his expertise.

2014.09-2018.11 Ph.D. Condensed Matter Physics, University of Science and Technology of China (USTC)

Shafiq earned his Ph.D. in Condensed Matter Physics from USTC, where he conducted significant research on advanced functional materials.

Professional Education

Shafiq also holds a Bachelor in Education from Northern University, Pakistan, and completed a Chinese language course at Anhui Normal University, enhancing his teaching skills and language proficiency.

Research Focus

Shafiq’s research interests include the first-principles study of advanced functional materials, the development of new computational methods, the use of machine learning tools to predict new functional materials, and finite element analysis in COMSOL to study device performance and efficiency.

Professional Journey

2018.12-2020.12 Postdoc, Shenzhen University, Shenzhen, China

Shafiq began his professional career as a postdoctoral researcher at Shenzhen University, expanding his research portfolio.

2020.12-2021.12 Research Associate, Southern University of Science and Technology, Shenzhen, China

He then worked as a Research Associate, contributing to various research projects.

2021.12-2022.07 Self-employed, Sypotoelectronic LTD, UK

Shafiq gained industry experience by working as a self-employed researcher with Sypotoelectronic LTD in the UK.

2022.08-Now Scientific Researcher, YDRI-UESTC, Zhejiang, China

Currently, Shafiq is a scientific researcher at the Young Doctor Research Institute of UESTC, where he continues his advanced research in computational materials science and condensed matter physics.

Honors & Awards

Shafiq has received several prestigious awards, including the Chinese Government Scholarship Award, Gold Medal in M.Sc. Physics, Position Holder at the 7th Physical Academic Forum of USTC, Organizing Committee Member Award from Physics USA Leadership Committee, Best Reviewer Award from IOP Society, Best Presenter Award at UK-Canada Joint Symposium, and Research Associate Title Award from Zhejiang Province.

Publications Noted & Contributions

Shafiq has published extensively in high-impact journals. His notable publications include studies on photocatalytic potential, in-plane heterostructures, computational insight of anode materials, and enhanced optoelectronic properties. His work has significantly contributed to the understanding and development of advanced functional materials and computational methods.

The Structural Stabilities and Band Gap Engineering of Core-Shell Nanowires

Authors: L. Zhu, S.U. Rehman, L. Zhang, S. Wu, Y. Xie, X. Wang

Source: IOP Conference Series: Materials Science and Engineering, Vol. 490, Issue 2, 022021, 2019

Citations: 1

In-plane Heterostructures of Transition Metal Dichalcogenide Monolayers with Enhanced Charge Separation and Effective Overall Water Splitting

Author: S.U. Rehman

Source: International Journal of Hydrogen Energy, Vol. 80, pp. 280ā€“288, 2024

High-throughput First Principles Screening of Transition Metal Dichalcogenides Monolayers for Overall Water Splitting and Photo-corrosion Inhibition

Authors: S.U. Rehman, J.W. Wang, N. Mahmood, J. Xian

Year: 2023

Ultralight FeSiAl Micro-flake Flying with Propylene to Favor Fast Growth of Carbon Nanotube Arrays at 99% High-efficient Conversion

Authors: X. Fu, D. Zou, G. Chen, X. He, S.U. Rehman, N. Wang, Y. Liu, X. Jian

Source: Journal of Alloys and Compounds, Vol. 960, 171057, 2023

Core/Shell Nanowires

Authors: S.U. Rehman, Z.Y. Li, H.M. Li, Z.J. Ding

Source: Physica B: Physics of Condensed Matter, 2017

Multi-Junction Photocatalyst of TiO2@C@G-C3N4 for the Degradation of Formaldehyde and Methyl Orange

Authors: X. Jian, S.U. Rehman, R. Jonathan, F. Cao, X. Ma, J. Wang, Y. Liu

Research Timeline

Shafiq’s research timeline highlights his consistent contributions to the field of condensed matter physics and materials science, from his early academic pursuits to his current role as a scientific researcher. His work has evolved from foundational studies to advanced computational research, reflecting his growth and expertise in the field.

Collaborations and Projects

Shafiq has actively collaborated with various academic and research institutions, contributing to numerous projects in condensed matter physics and materials science. His collaborative efforts have resulted in significant advancements in his field and have fostered a productive exchange of knowledge and expertise.

Teaching Interest

Shafiq is passionate about teaching and has a strong interest in subjects such as Computational Material Science, Solid State Physics, Quantum Physics, Introduction to First Principles Methods, and Introduction to Python and Machine Learning. He is dedicated to sharing his knowledge and inspiring the next generation of scientists.