Prof. Banjo Semire | Computational Chemistry | Distinguished Scientist Award

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Dr. Faranak Hatami | Computational Chemistry | Best Researcher Award

Published on by Chemistry Awards

Dr. Faranak Hatami | Computational Chemistry | Best Researcher Award

Dr. Faranak Hatami , Computational Chemistry , PhD at University of massachuessetes Lowell, United States

Faranak Hatami (Fara) is a dedicated physicist and researcher specializing in molecular dynamics simulations, machine learning, and nuclear materials science. Currently pursuing her Ph.D. in Physics at the University of Massachusetts Lowell, she focuses on transport property analysis and multi-objective optimization for molecular systems like Tri-Butyl-Phosphate (TBP). Faranak holds two master’s degrees—one in Physics from UMASS Lowell, where she explored force fields for TBP, and another in Nuclear Engineering from Shahid Beheshti University, where she investigated radiation damage in metals. With a robust background in computational physics, AI, and advanced simulation tools, she has authored multiple publications across nuclear materials and computational chemistry. Her teaching experience spans both the U.S. and Iran, reflecting her passion for education. Beyond academia, she completed a research internship at the University of Montreal. Faranak’s work bridges fundamental physics and practical applications, contributing innovative insights to the fields of material science and chemical engineering.

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Summary of Suitability for Award:

Faranak Hatami is a highly suitable candidate for a “Best Researcher Award”. She demonstrates exceptional multidisciplinary expertise spanning physics, molecular dynamics, machine learning, and nuclear materials science. Her Ph.D. work at UMASS Lowell innovatively combines atomic-scale simulations with AI to optimize force field parameters for Tri-Butyl-Phosphate, addressing both fundamental science and practical applications.  She has authored several impactful publications in reputable journals and preprints, covering diverse topics from radiation damage in metals to machine learning models predicting thermodynamic properties. Her research portfolio includes complex computational modeling, multi-objective optimization, and advanced materials analysis. Additionally, Faranak’s teaching record and successful research internship in Canada reflect her commitment to knowledge dissemination and international collaboration. Her ability to merge computational physics with machine learning showcases originality and forward-thinking, key attributes for top research honors. Faranak Hatami embodies the qualities of a best researcher: scientific rigor, innovative thinking, multidisciplinary skillset, and impactful publications. Her contributions significantly advance computational methods in physical sciences and engineering, making her a strong and deserving candidate for a “Best Researcher Award”.

🎓Education:

 Faranak Hatami is completing her Ph.D. in Physics at the University of Massachusetts Lowell (2021–2025), with her thesis focused on transport property analysis and optimization of force field parameters for Tri-Butyl-Phosphate (TBP), combining atomic-scale simulations with machine learning. Prior to this, she earned her M.Sc. in Physics from the same university in 2023, where she conducted a comparative study of force fields for liquid TBP using molecular dynamics. Earlier, she obtained her M.Sc. in Nuclear Engineering from Shahid Beheshti University in Iran (2016), where she examined radiation damage effects on zirconium and iron grain boundaries through simulations. Her academic journey began with a B.S. in Electrical Engineering from Kurdistan University in 2013. Throughout her studies, Faranak has integrated advanced computational methods, AI, and experimental data analysis, building a multidisciplinary foundation that connects physics, materials science, and engineering disciplines.

🏢Work Experience:

Faranak Hatami brings diverse experience across research, teaching, and technical projects. At UMASS Lowell, she serves as a Teaching Assistant in Physics while pursuing her Ph.D., guiding students through complex concepts. Previously, she lectured on Computational Methods and Statistical Methods and Physics courses at Shahid Beheshti University between 2014 and 2018. Her research career includes an internship at the University of Montreal (2019–2021), exploring hydrogen’s effects on iron grain boundaries using the kinetic activation relaxation technique (k-ART). Faranak has led significant academic projects spanning molecular dynamics simulations, multi-objective optimization, and machine learning applications in material science. She has deep expertise in computational tools such as LAMMPS, MCNP, VASP, and Python-based AI frameworks. Her work reflects a unique blend of fundamental physics research, practical problem-solving, and advanced data analysis, contributing to fields like chemical engineering, nuclear materials, and computational modeling.

🏅Awards: 

 Faranak Hatami has built an impressive research portfolio during her academic career, reflected in multiple publications and conference presentations. While specific named awards were not explicitly listed in her profile, her contributions have earned her recognition through invited presentations such as at the AIChE Annual Meeting, showcasing her expertise in molecular dynamics simulations and force field optimization. Completing dual M.Sc. degrees in Physics and Nuclear Engineering highlights her dedication and academic excellence. Her selection as a research intern at the University of Montreal, working on advanced computational studies in materials science, further underscores her capability and esteem in her field. Through her multidisciplinary approach integrating AI, molecular modeling, and nuclear materials science, she stands out as a rising scholar contributing valuable insights to computational physics and chemical engineering. As she advances her Ph.D., she is poised for further accolades in research innovation and scientific community engagement.

🔬Research Focus:

 Faranak Hatami focuses her research on the intersection of molecular dynamics simulations, machine learning, and materials science. Her Ph.D. work centers on analyzing transport properties and optimizing force field parameters for Tri-Butyl-Phosphate (TBP) using multi-objective optimization algorithms like NSGA-II/III. She applies molecular dynamics to predict critical thermodynamic and transport properties, integrating neural networks for parameter tuning. Additionally, she explores AI-based classification of microscopy and atomic-scale images, blending physics with cutting-edge data science. Faranak’s earlier research in nuclear engineering examined radiation damage in metals such as zirconium and nickel, utilizing techniques like climbing image nudged elastic band (CI-NEB) for defect analysis. She’s also investigated hydration free energies, grain boundary behaviors, and primary knock-on atom (PKA) spectra in irradiated materials. Her work bridges computational physics with practical engineering challenges, advancing predictive models and simulation methods to better understand complex molecular and material systems.

Publication Top Notes:

✅ Comparative Analysis of Machine Learning Models for Predicting Viscosity in Tri-n-Butyl Phosphate Mixtures Using Experimental Data

Citations: 6

✅ Quantification of Methane Hydration Energy Through Free Energy Perturbation Method

✅ Comparison of Different Machine Learning Approaches to Predict Viscosity of Tri-n-Butyl Phosphate Mixtures Using Experimental Data

Citations: 3

✅ Properties of Tri-Butyl-Phosphate from Polarizable Force Field MD Simulations

Citations: 1

✅ A Revision of Classical Force Fields for Tri-N-Butyl Phosphate Molecular Dynamics Simulations

✅ Interaction of primary cascades with different atomic grain boundaries in α-Zr: An atomic scale study

Citations: 34

✅ An energetic and kinetic investigation of the role of different atomic grain boundaries in healing radiation damage in nickel

Citations: 31

Mr. Salim Houamer | Physical Chemistry | Best Researcher Award

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Mr. Salim Houamer | Physical Chemistry | Best Researcher Award

Mr. Salim Houamer , Physical Chemistry , University ferhat abbas Setif1, Algeria

Prof. Salim Houamer is a renowned Algerian physicist specializing in theoretical atomic and molecular physics. Based at the University of Sétif 1, Algeria, he is affiliated with the Laboratory of Physics of Quantum Systems and Data (LPQSD). With dual doctorates—one from the University of Sétif and another from the University of Metz, France—he has significantly contributed to the understanding of atomic collisions and Compton scattering. Prof. Houamer has taught numerous advanced physics courses and has supervised several Ph.D. theses. His prolific collaborations with international researchers have resulted in highly cited papers in Nature Physics, Physical Review Letters, and EPJD. A respected mentor and scholar, he continues to lead research in atomic-scale phenomena. Through his academic and scientific endeavors, he has played a vital role in advancing Algeria’s presence in global physics research.

Professional Profile : 

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Summary of Suitability for Award:

Prof. Salim Houamer is a distinguished theoretical physicist whose work significantly advances the fields of atomic and molecular collisions and Compton scattering. His academic background includes dual doctorates from Algeria and France, indicating a high level of international academic training. He has published in top-tier journals, including Nature Physics and Physical Review Letters, which is a hallmark of impactful and widely recognized scientific contributions. His research output reflects consistent innovation, particularly in modeling ionization processes and collaborating on high-precision experimental validations His involvement in international collaborations, highly cited publications, and long-term contributions to teaching and mentoring position him as a leading figure in theoretical atomic physics. Prof. Salim Houamer is highly suitable for the “Best Researcher Award”. His record of doctoral supervision, publication in elite journals, and sustained scientific engagement over decades clearly meets—and exceeds—the standards typically expected for this prestigious recognition. He would be a worthy and impactful recipient of the “Best Researcher Award”.

🎓Education:

Prof. Salim Houamer’s academic journey began at Algiers University, where he earned both his Diplome d’études supérieurs and Magister degrees in theoretical physics. He further pursued a Doctorat d’état at the University of Sétif, Algeria, solidifying his research foundation in atomic and molecular physics. To broaden his international exposure and scientific perspective, he completed a second doctorate—Doctorat d’université—at the University of Metz, France, focusing on advanced quantum mechanical models and theoretical physics. These comprehensive educational experiences equipped him with rigorous analytical tools and laid the groundwork for his future contributions to molecular collision theory, Compton scattering, and molecular ionization dynamics. His dual training in both Algerian and European institutions has allowed him to bridge scientific communities across borders and elevate the quality of physics research and pedagogy in his home country and beyond.

🏢Work Experience:

Prof. Houamer has over two decades of university teaching experience in core and advanced physics subjects. At the University of Sétif 1, he has taught Introduction to Mechanics, Electricity and Magnetism, Quantum Mechanics (Introductory and Advanced), Atomic and Molecular Physics, Statistical Physics, Electrodynamics, and Physical Optics. His comprehensive knowledge of physics has benefited undergraduate and postgraduate students alike. As an academic advisor, he has supervised six doctoral theses between 2011 and 2024 and is currently guiding three new Ph.D. candidates. In parallel, Prof. Houamer has been actively engaged in research collaborations with renowned physicists across Europe and Asia, contributing to both theoretical models and experimental validations. His expertise in atomic collisions and Compton scattering has earned him international recognition. His deep engagement with scientific problems and ability to translate theory into insight make him a pillar in the Department of Physics at Setif University.

🏅Awards: 

While specific awards and honors are not listed, Prof. Salim Houamer’s achievements are reflected in his co-authorship in prestigious journals such as Nature Physics, Physical Review Letters, and EPJD, which speaks volumes about his international recognition and scientific impact. His collaboration with top experimental groups worldwide and publication in high-impact journals are testaments to his standing in the global scientific community. He has also played a crucial mentorship role, guiding multiple doctoral students over the past decade. Invitations to collaborate in international experiments and theoretical validations reflect the respect he commands in the physics community. His inclusion in cross-continental research teams and participation in multi-institutional studies further affirm his peer recognition. While not officially recorded here, such distinctions often serve as de facto honors in academia, particularly in theoretical and computational physics.

🔬Research Focus:

Prof. Salim Houamer’s research is centered on atomic and molecular collisions involving charged particles and Compton scattering phenomena. He specializes in modeling and analyzing ionization processes, particularly the interaction of electrons and positrons with atoms and molecules. His work bridges nonrelativistic quantum mechanics and experimental verification, providing insights into phenomena such as single and double ionization, triple differential cross sections, and low-energy electron impacts. Recent publications involve detailed studies on helium and water molecules, using advanced theoretical frameworks to match and guide experimental results. He collaborates with physicists worldwide to contribute to cutting-edge research on momentum distributions, threshold phenomena, and electron-photon interactions. His work is vital in fields such as radiation physics, quantum scattering, and molecular spectroscopy, making significant contributions to both applied and theoretical aspects of atomic physics.

Publication Top Notes:

1. Electron impact ionization of atoms and molecules: An improved BBK model

2. Compton double ionization of the helium atom: Can it be a method of dynamical spectroscopy of ground state electron correlation?

3. Compton Ionization of Atoms as a New Method of Spectroscopy of Outer Shells

4. Ion and Electron Momentum Distributions from Single and Double Ionization of Helium Induced by Compton Scattering

5. Compton ionization of atoms as a method of dynamical spectroscopy

6. Ion and Electron Momentum Distributions from Single and Double Ionization of Helium Induced by Compton Scattering (ArXiv Preprint)

7. Compton ionization of hydrogen atom near threshold by photons in the energy range of a few keV: nonrelativistic approach

Citations: 12

8. Kinematically complete experimental study of Compton scattering at helium atoms near the threshold

9. New investigation of the electron-impact ionization of the intermediate valence state of ammonia

 

 

 

Dr. Jean Moto Ongagna | Theoretical Chemistry | Catalysis Award

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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 : 

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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.

🎓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 Master’s degree in the same field, where he explored the computational analysis of metal-ligand interactions. His Bachelor’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 (Baccalauréat D) in 2008 at Laic Private College “La Liberté” 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.

🏢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.

🏅Awards: 

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 Universität 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.

🔬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, Diels–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 Pd—C and Pd—X (X = Cl, Br, and I) Bonding Interaction Within Bis‐(NHC)‐Palladium Complexes Using Quantum Chemistry Tools

Authors: Gaël Mouzong D’Ambassa, Jean Moto Ongagna, Adjieufack Abel Idrice, Désiré Bikele Mama

Year: 2024

Computational Exploration of the Impact of Low‐Spin and High‐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, Gaël Mouzong D’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: Gaël Mouzong D’Ambassa, Jean Moto Ongagna, Adjieufack Abel Idrice, Désiré Bikele Mama

Year: 2024

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

Authors: Jean Moto Ongagna, Gaël Mouzong D’Ambassa

Year: 2023

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

Authors: Jean Moto Ongagna, Gaël Mouzong D’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, Gaël Mouzong D’Ambassa

Year: 2023

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

Authors: Jean Moto Ongagna, Gaël Mouzong D’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, Gaël Mouzong D’Ambassa

Year: 2021

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

Authors: Jean Moto Ongagna, Gaël Mouzong D’Ambassa

Year: 2020