Dr. Miguel Fernández | Computational Chemistry | Best Researcher Award

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Dr. Miguel Fernández | Computational Chemistry | Best Researcher Award

Dr. Miguel Fernández , Instituto Venezolano de Investigaciones Cientificas IVIC , Venezuela

Dr. Miguel Antonio Fernández Castellanos is a Venezuelan computational chemist with expertise in molecular modeling and theoretical chemistry. Based in San Antonio de los Altos, Venezuela, he is a researcher at the Laboratory of Computational Chemistry at IVIC, where he models the antioxidant effects of magnesium salts and maintains HPC servers. With a Ph.D. in Chemistry from IVIC, Dr. Fernández has made notable contributions to understanding molecular interactions through computational simulations. He has authored numerous peer-reviewed publications and presented at national and international conferences. Dr. Fernández is the recipient of prestigious awards, including the Dr. Arnoldo Gabaldón Award and the National Science, Technology, and Innovation Award, recognizing his outstanding research in chemistry.

Professional Profile

Orcid

Scopus  

Summary of Suitability for Award:

Dr. Miguel Antonio Fernández Castellanos is an exceptional candidate for the “Best Researcher Award” due to his outstanding contributions to computational and theoretical chemistry. With a Ph.D. from IVIC, Dr. Fernández has authored numerous high-impact publications focusing on antioxidant mechanisms, lipid bilayer oxidation, and magnesium salt interactions. His work combines advanced molecular dynamics, electronic structure methods, and theoretical modeling to address critical challenges in chemistry and biomedicine. Dr. Miguel Antonio Fernández Castellanos is a highly deserving candidate for the “Best Researcher Award.” His innovative contributions, recognized excellence, and impactful research addressing critical chemical and biomedical challenges solidify his place as an exemplary researcher whose work resonates globally.

🎓Education:

Dr. Fernández earned his Ph.D. in Chemistry from the Instituto Venezolano de Investigaciones Científicas (IVIC) in 2021, specializing in molecular dynamics and electronic structure methods. He holds a Bachelor’s degree in Chemistry from the Universidad de Carabobo (UC), completed in 2012. His academic background combines robust theoretical training with practical expertise in computational chemistry, focusing on the simulation of complex molecular systems and the study of antioxidant mechanisms of magnesium salts. His advanced technical skills include molecular dynamics software (ORCA, GROMACS) and programming languages such as Python and BASH, enabling him to address cutting-edge research questions in chemistry.

🏢Work Experience:

Dr. Fernández has a rich professional background in research and academia. He has been a researcher at IVIC’s Laboratory of Computational Chemistry since 2021, focusing on magnesium salts’ antioxidant effects. He completed a postdoctoral fellowship at IVIC (2021–2024) and previously worked as a Teaching Assistant at the Universidad de Carabobo, teaching General and Organic Chemistry and assisting in laboratory practices. His responsibilities include managing laboratory resources, maintaining HPC servers, and conducting advanced molecular modeling. Dr. Fernández has actively contributed to scientific knowledge dissemination through publications, conferences, and posters, showcasing his expertise in computational simulations and theoretical chemistry.

🏅Awards: 

Dr. Fernández’s accomplishments have been recognized with several prestigious awards. He received the Dr. Arnoldo Gabaldón Award (2023) from ACFIMAN for his contributions as a young scientist in Venezuela. In 2021, he won the National Science, Technology, and Innovation Award for his groundbreaking work on magnesium sulfate’s antioxidant effects. Additionally, he has been part of the Laboratory of Computational Chemistry team, which received the Consolidated Research Group Award. Dr. Fernández also earned the IVIC Excellence Scholarship for his doctoral studies, reflecting his dedication to advancing computational chemistry and his impact on scientific research in Venezuela.

🔬Research Focus:

Dr. Fernández’s research explores computational chemistry, focusing on molecular dynamics and antioxidant mechanisms of magnesium salts. He investigates spin-electron stabilization in hydroxyl radicals, lipid bilayer oxidation, and bioinorganic interactions using advanced DFT calculations. His studies contribute to understanding cellular processes and oxidative stress, bridging theoretical chemistry with biomedical applications. He also explores interfacial properties of surfactant systems and proton transfer phenomena in hydrated magnesium complexes. Dr. Fernández’s work employs state-of-the-art simulation tools, including ORCA and GROMACS, to advance theoretical insights into chemical and biological systems, addressing fundamental and applied challenges in chemistry.

Publication Top Notes:

Title: Relevance of SOMO-HOMO inversion in the antioxidant activity of MgSO4-OH radical complex: A theoretical insight
Authors: Miguel Fernández
Citations: Not available
Year: 2025

Title: Antioxidant Activity of MgSO4 Ion Pairs by Spin-Electron Stabilization of Hydroxyl Radicals through DFT Calculations: Biological Relevance
Authors: Miguel Fernández
Citations: Not available
Year: 2024

Title: A literature review of the increased intracellular free calcium concentration by biofield therapy or laser exposure. An explanation by using a theoretical study of hydrated calcium ions
Authors: Miguel Fernández
Citations: Not available
Year: 2024

Title: Comités de bioética: exponiendo los desafíos bioéticos actuales
Authors: Miguel Fernández
Citations: Not available
Year: 2023

Title: Magnesium salts in pregnancy
Authors: Miguel Fernández
Citations: Not available
Year: 2023

Title: Effect of magnesium sulfate in oxidized lipid bilayers properties by using molecular dynamics
Authors: Miguel Fernández
Citations: Not available
Year: 2021

Title: Deslocalización de la densidad de espín del radical hidroxilo sobre el MgSO4. Un estudio teórico
Authors: Miguel Fernández
Citations: Not available
Year: 2019

Title: Hydration study of MgSO4 using different theoretical and model approaches: ¿Is there a proton transfer?
Authors: Miguel Fernández
Citations: Not available
Year: 2018

Title: Magnesium sulfate against oxidative damage of membrane lipids: A theoretical model
Authors: Miguel Fernández
Citations: Not available
Year: 2017

Title: Análisis teórico de la fluorescencia de emisión de metalo-tetrafenil-porfirinas usando teoría del funcional de la densidad dependiente del tiempo
Authors: Miguel Fernández
Citations: Not available
Year: 2014

 

 

 

 

 Ahmed Hassan Bakheit | Computational Chemistry | Excellence in Research

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Dr. Ahmed Hassan Bakheit | Computational Chemistry | Excellence in Research

Doctorate at  King Saud University, Saudi Arabia

Dr. Ahmed H. Bakheit is a distinguished researcher and educator specializing in analytical chemistry and pharmaceutical sciences. His academic journey includes earning a Ph.D. in Chemistry from Al-Neelain University, Sudan, where he conducted groundbreaking research on the interaction of anticancer drugs with serum albumin and DNA using advanced spectroscopic and molecular modeling techniques. Currently based at King Saud University, Saudi Arabia, he serves as a Researcher in the Department of Pharmaceutical Chemistry, focusing on pharmaceutical quality control, bioinformatics, and computational chemistry.

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ORCID Profile

Dr. Ahmed H. Bakheit is affiliated with the College of Pharmacy in Riyadh, Saudi Arabia. His research has garnered significant attention with 2,353 citations across 1,548 documents, resulting in an h-index of 29. His publications span various aspects of analytical chemistry and pharmaceutical sciences, contributing substantially to these fields. Dr. Bakheit’s ORCID profile provides additional details about his academic and research outputs.

Education

Dr. Bakheit completed his academic training at Al-Neelain University, Sudan. He obtained his Ph.D. in Analytical Chemistry in 2023, building upon earlier accomplishments with an M.Sc. in 2007 and a B.Sc. (Honors) in 2001, both in Analytical Chemistry. His educational background equipped him with comprehensive knowledge in spectroscopic methods, computational chemistry, and pharmaceutical analysis, laying a solid foundation for his research career.

Research Focus

Dr. Bakheit’s research interests encompass a broad spectrum within analytical chemistry and pharmaceutical sciences. He specializes in analytical method development, computational chemistry in drug discovery, spectroscopic investigation of drug-protein interactions, and pharmaceutical quality control. His work aims to advance understanding and application of analytical techniques, contributing to drug development and enhancing therapeutic efficacy.

Professional Journey

Dr. Bakheit’s professional journey began as a Teaching Assistant at Al-Neelain University, Sudan, where he gradually advanced to become a Lecturer before joining King Saud University in 2011 as a Researcher. Throughout his career, he has imparted knowledge in analytical chemistry and instrumental analysis to undergraduate and graduate students while making significant strides in research, publication, and academic leadership.

Honors & Awards

Dr. Bakheit has been recognized for his academic excellence and research contributions, receiving undergraduate prizes from Al-Neelain University and accolades from the Sudan Institute for Natural Sciences. These honors underscore his dedication to advancing scientific knowledge and fostering innovation in analytical chemistry and pharmaceutical sciences.

Publications Noted & Contributions

Dr. Bakheit has authored numerous influential publications in renowned journals such as Future Medicinal Chemistry, Molecules, and Crystals. His research contributions span critical areas including drug-protein interactions, computational chemistry, pharmaceutical quality control, and spectroscopic analysis. His publications are pivotal in advancing understanding and application of analytical techniques in pharmaceutical sciences.

Identification of Phytochemicals from Arabian Peninsula Medicinal Plants as Strong Binders to SARS-CoV-2 Proteases (3CL<sup>Pro</sup> and PL<sup>Pro</sup>) by Molecular Docking and Dynamic Simulation Studies

  • Published in Molecules, 2024
  • DOI: 10.3390/molecules29050998
  • Contributors: Saquib, Q.; Bakheit, A.H.; Ahmed, S.; Ansari, S.M.; Al-Salem, A.M.; Al-Khedhairy, A.A.

Ponatinib: A Comprehensive Drug Profile

  • Published in Profiles of Drug Substances, Excipients and Related Methodology, 2024
  • DOI: 10.1016/bs.podrm.2023.11.005
  • Contributors: Attwa, M.W.; Alkahtani, H.M.; El-Azab, A.S.; Abdel-Aziz, A.A.-M.; Abdelhameed, A.S.; Kadi, A.A.; Hassan, S.B.; Zeidan, D.W.; Bakheit, A.H.

Synthesis, Characterization, and Molecular Modeling of Novel 1,3,4-oxadiazole Derivatives of Mefenamic Acid

  • Published in Polish Journal of Chemical Technology, 2024
  • DOI: 10.2478/pjct-2024-0016
  • Contributors: Bhat, M.A.; Naglah, A.M.; Bakheit, A.H.; Al-Omar, M.A.

An Ultrafast UPLC–MS/MS Method for Characterizing the In Vitro Metabolic Stability of Acalabrutinib

  • Published in Molecules, 2023
  • DOI: 10.3390/molecules28207220
  • Contributors: Attwa, M.W.; Bakheit, A.H.; Abdelhameed, A.S.; Kadi, A.A.

Antiviral Activity of Some Benzo[g]quinazolines Against Coxsackievirus B4: Biological Screening and Docking Study

  • Published in Pharmacological Reports, 2023
  • DOI: 10.1007/s43440-023-00495-z
  • Contributors: Abuelizz, H.A.; Bakheit, A.H.; Marzouk, M.; El-Senousy, W.M.; Abdellatif, M.M.; Mostafa, G.A.E.; Saquib, Q.; Hassan, S.B.; Al-Salahi, R.

Research Timeline

Dr. Bakheit’s research career spans from his early academic roles as a Teaching Assistant and Lecturer at Al-Neelain University, Sudan, to his current position as a Researcher at King Saud University, Saudi Arabia. His timeline reflects continuous growth in research expertise and academic contributions in analytical chemistry and pharmaceutical sciences.

Collaborations and Projects

Dr. Bakheit actively collaborates with researchers nationally and internationally, engaging in interdisciplinary projects focused on drug development, spectroscopic analysis, and computational modeling. These collaborations enhance research outcomes and contribute to advancements in pharmaceutical sciences and analytical chemistry, addressing complex scientific challenges.

These paragraphs provide a detailed narrative of Dr. Ahmed H. Bakheit’s academic background, research impact, professional journey, and contributions to analytical chemistry and pharmaceutical sciences.

Shafiq Ur Rehman | Computational Chemistry | Best Researcher Award

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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.

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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. 280–288, 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.