Abdellah Tahiri | molecular dynamics | Atomic and Molecular Physics Innovation Award 

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Prof. Abdellah Tahiri | molecular dynamics | Atomic and Molecular Physics Innovation Award 

Faculty of science dhar el mehraz university sidi mohamed ben abdellah fez | Morocco 

AUTHOR PROFILE

EARLY ACADEMIC PURSUITS

Prof. Abdellah Tahiri began his academic journey with a Baccalauréat in Sciences expérimentale from Lycée 06 novembre El Jadida in 1998. He then earned a Licence Fondamental in Science de la Matière Physique with a specialization in Réseaux et télécoms from Université Choaib Doukkali, El Jadida, Faculté des Sciences in 2002. He followed this with professional training, obtaining a certificat de la qualification pédagogique from Center Régional Derb Galef in 2003. Prof. Tahiri completed his Master’s in Informatique scientifique en physique des hautes énergies et expérimentales from Université Hassan II-Casablanca, Faculté des Sciences Ain Chock in 2009. His academic pursuits culminated in earning a Doctorat in physiques appliquée et Sciences des matériaux from the faculté des sciences Ben M’sik, Université Hassane II Casablanca in January 2021. His doctoral research focused on the "Etude des propriétés mécaniques et structurales de Tungstène nanocristallin par la méthode de dynamique moléculaire," supervised by Brahim Boubeker.

PROFESSIONAL ENDEAVORS

Prof. Tahiri has built a distinguished career in applied physics and material sciences. His professional experience includes significant research and teaching positions at various prestigious institutions. Since earning his doctorate, he has continued his research within the Laboratoire d’Ingénierie et Matériaux (LIMAT). His professional endeavors have focused on utilizing molecular dynamics simulations and the Embedded Atom Method (EAM) to explore the mechanical properties and structural behaviors of nanocrystalline tungsten under various conditions.

CONTRIBUTIONS AND RESEARCH FOCUS

Prof. Tahiri’s primary research interests include studying the mechanical and structural properties of nanocrystalline tungsten through molecular dynamics simulations. His work has extensively covered various mechanical tests, such as compression, nano-indentation, and uniaxial tension. He has developed models of tungsten with grain sizes ranging from 4 to 15 nm using Voronoi construction tools. His research has yielded significant insights into the elastic coefficients of tungsten at different temperatures and grain sizes, including Young’s modulus, shear modulus, compressibility, Poisson's ratio, and anisotropy.

In addition to the study of tungsten, Prof. Tahiri has explored the effects of temperature and rhenium (Re) concentrations in W1‑xRex alloys on their shear elastic modulus. His findings have been compared with existing literature, achieving highly satisfactory agreement.

IMPACT AND INFLUENCE

Prof. Tahiri's research in molecular dynamics has had a profound impact on the field of material science, particularly in understanding the mechanical properties of nanocrystalline tungsten. His work has contributed valuable knowledge on the behavior of materials at the nanoscale, influencing further research and applications in nanotechnology and material engineering. His studies on the deformation processes of nanocrystalline tungsten and the inverse Hall-Petch effect have been particularly influential, offering new perspectives on material strength and durability.

ACADEMIC CITATIONS

Prof. Tahiri’s work has been widely cited in academic conferences and journals. Notable publications include his assessment of structural, electronic, and mechanical properties of Re1‑xWxB2 diborides, presented at the International Conference on Energy and Green Computing in November 2023, and his first-principles calculations of new KXH3 (X = Mn, Fe) hydride compounds for hydrogen storage applications, presented at the World Energy Conference in December 2023. His research on Co2 x V x FeGe Full-Heusler Alloys was showcased at the Journee sur l’ingenierie des materiaux (JIM’23) in May 2023. These citations underscore the significance of his contributions to the scientific community.

LEGACY AND FUTURE CONTRIBUTIONS

Looking ahead, Prof. Abdellah Tahiri aims to continue his pioneering work in molecular dynamics and material sciences. His future contributions are expected to further enhance the understanding and application of nanocrystalline materials, particularly tungsten and its alloys. His legacy will be marked by his dedication to advancing scientific knowledge and his influence on the academic and research community, fostering innovation and excellence in the field of material science.

MOLECULAR DYNAMICS 

Prof. Tahiri's expertise in molecular dynamics has been central to his research, providing deep insights into the mechanical properties and structural behaviors of materials at the nanoscale. His use of molecular dynamics simulations to explore various mechanical tests and the effects of different parameters on material properties highlights the importance of this methodology in advancing material science. The keywords molecular dynamics encapsulate the core of his research approach, reflecting his commitment to utilizing cutting-edge techniques to uncover new knowledge and drive innovation in the field.

NOTABLE PUBLICATION

Sridhar Palla | Molecular Modeling | Young Scientist Award

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Assist Prof Dr. Sridhar Palla | Molecular Modeling | Young Scientist Award

Indian Institute Of Petroleum And Energy | India

AUTHOR PROFILE

Scopus

EARLY ACADEMIC PURSUITS

Sridhar Palla embarked on his academic journey with a Bachelor's degree in Chemical Engineering from Andhra University College of Engineering, Visakhapatnam, India. His passion for exploring the intricacies of chemical processes led him to pursue advanced studies, culminating in a Master's and Ph.D. in Chemical Engineering from the prestigious Indian Institute of Technology Madras. During his doctoral tenure, he delved deep into his research, focusing on "Multiscale Modeling of Adsorption Hydrogen Storage in Metal-Organic Frameworks," showcasing his early prowess in Molecular Modeling.

PROFESSIONAL ENDEAVORS

Sridhar's professional journey has been marked by significant contributions and diverse experiences. Following the completion of his Ph.D., he ventured into the realm of academia as a Post-Doctoral Research Associate at the University of Liverpool, UK. Here, he immersed himself in Data-driven Modeling and High Throughput Screening of metal-organic frameworks for gas separation. Subsequently, he continued his academic pursuits as a Post-Doctoral Equivalent Fellow at IIT Madras, where he investigated the thermodynamics of combined CO2 reduction with ethane oxidative dehydrogenation by Mo2C catalyst.

CONTRIBUTIONS AND RESEARCH FOCUS

With expertise in Molecular Modeling, Ab initio/Quantum calculations, and Artificial Intelligence, Sridhar has made significant contributions to the field of Chemical Engineering. His research interests primarily revolve around Data-driven Modeling and High Throughput Screening, employing techniques such as Machine Learning, Density Functional Theory (DFT), Molecular Dynamics (MD), and Grand Canonical Monte Carlo (GCMC). His proficiency in utilizing tools like Python, MATLAB, and various simulation software underscores his commitment to advancing research in the field.

IMPACT AND INFLUENCE

Sridhar's work has had a tangible impact on both academia and industry. His ongoing project on "Experimental and theoretical investigation of metal-organic framework (MOF) adsorbents for post-combustion carbon capture," funded by the Institute Research Grant (IRG), exemplifies his dedication to addressing pressing environmental challenges. Moreover, his consultancy role with GITAA Pvt Ltd for Data Science-related problems underscores his ability to bridge the gap between theoretical research and practical applications.

ACADEMIC CITATIONS

Sridhar's scholarly contributions have garnered recognition, evident from his numerous guest lectures and invited talks at prestigious institutions and industry forums. His expertise in areas such as "Carbon capture and separation from flue gases" and "Hydrogen generation and storage" has been sought after by organizations like RINL, HPCL, and General Electric, reflecting the scholarly impact of his research.

LEGACY AND FUTURE CONTRIBUTIONS

Sridhar's legacy lies in his commitment to pushing the boundaries of Molecular Modeling and its applications in addressing critical societal and industrial challenges. As the co-convenor for the 1st International Conference on Trends in Chemical Energy and Environmental Engineering (ChemEEE-2024), he continues to foster collaboration and knowledge exchange in the academic community. His future contributions are poised to further elevate the field of Chemical Engineering, leaving a lasting imprint on research, education, and industry practices.

MOLECULAR MODELING

Molecular modeling stands as a cornerstone of Dr. Palla's research, manifesting in his expertise in employing techniques such as Density Functional Theory (DFT), Molecular Dynamics (MD), and Grand Canonical Monte Carlo (GCMC) for understanding and predicting the behavior of materials at the molecular level. Through his proficiency in molecular modeling, Dr. Palla has significantly contributed to advancements in gas separation, adsorption, and catalysis, facilitating the development of innovative solutions for sustainable energy and environmental technologies.

NOTABLE PUBLICATION

Synergistic effects and product yields in microwave-assisted in-situ co-pyrolysis of rice straw and paraffin wax

Year: 2024   Citation: 1

A two-step hybrid multi-criteria approach to analyze the significance of parameters affecting microwave-assisted pyrolysis

Year: 2023   Citation: 5

Himanshu Arora | Computational Chemistry | Best Researcher Award

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Dr. Himanshu Arora | Computational Chemistry | Best Researcher Award

University of Allahabad | India

 

 

AUTHOR PROFILE

Scopus

EARLY ACADEMIC PURSUITS

Dr. Himanshu Arora's academic journey began with a solid foundation in Chemistry. Graduating from St. Stephens College, Delhi University, with a B.Sc. in Chemistry in 2002, he showcased exceptional dedication and competence. This was followed by an M.Sc. in Chemistry from the Indian Institute of Technology Delhi, where he continued to excel, laying the groundwork for his future endeavors. His pursuit of knowledge led him to pursue a Ph.D. in Chemistry at the prestigious Indian Institute of Technology Kanpur under the guidance of Prof. R. N. Mukherjee, where he delved deep into the intricacies of molecular magnetism and the electronic structure of radical complexes.

PROFESSIONAL ENDEAVORS

Dr. Arora's professional journey has been marked by a commitment to excellence in both research and academia. Following his Ph.D., he gained valuable postdoctoral research experience at renowned institutions such as Bar Ilan University, Israel, and CNRS, France. During this time, he further honed his expertise in molecular magnetism and advanced synthetic techniques, contributing significantly to the scientific community. Dr. Arora's teaching career began in 2004 as a Teaching Assistant at the Indian Institute of Technology Kanpur, where he assisted in undergraduate lab courses. Since then, he has held teaching positions at various institutions, including the University of Allahabad, GD Goenka University, and Galgotias University, where he has imparted knowledge and inspired young minds in the field of Chemistry,Computational Chemistry .

CONTRIBUTIONS AND RESEARCH FOCUS ON COMPUTATIONAL CHEMISTRY

Dr. Arora's research interests lie at the intersection of chemistry and physics, focusing on the characterization and synthesis of organic ligands and their interactions with metal ions to isolate complexes with intriguing properties. His work in molecular magnetism has contributed to a deeper understanding of the chemistry underlying magnetic systems and the electronic structure of radical complexes. Through his research, Dr. Arora has made significant contributions to the field, Computational Chemistry pushing the boundaries of knowledge and paving the way for future advancements in molecular magnetism.

ACCOLADES AND RECOGNITION

Dr. Arora's contributions to the scientific community have been recognized with several awards and scholarships, including the Junior and Senior Research Fellowships (JRF/SRF) from the Council of Scientific and Industrial Research (CSIR), New Delhi, India. His impressive performance in the Graduate Aptitude Test in Engineering (GATE) further underscores his academic prowess and dedication to excellence.

IMPACT AND INFLUENCE

Dr. Arora's research and teaching endeavors have left a lasting impact on the academic community. Through his mentorship and guidance, he has inspired countless students to pursue careers in science and research. His contributions to molecular magnetism have not only advanced scientific knowledge but also hold the potential to drive innovations in various sectors, including materials science and nanotechnology.

LEGACY AND FUTURE CONTRIBUTIONS

As Dr. Arora continues his academic journey, his legacy of excellence and innovation in molecular magnetism will endure. His future contributions are poised to further enrich the scientific community, with a focus on interdisciplinary research, collaboration, and the translation of fundamental discoveries into real-world applications. By nurturing the next generation of scientists and pushing the boundaries of scientific knowledge, Dr. Arora's legacy will continue to shape the landscape of molecular magnetism for years to come.

NOTABLE  PUBLICATION

Thyme-licorice nanoemulsion for anthracnose management in Capsicum annuum L. and life cycle assessment of its production  February 2024

Dinuclear Phenoxo-Bridged Nickel(II) and Copper(II) Complexes of Phenolate-Based Tripodal Ligand: Theoretical and Experimental InsightsJanuary 2024

Synthesis, Characterization and Antibacterial Investigation of Mononuclear Copper (II) Complexes of Amine-phenolate Based Ligands  February 2023