Josep Oliva – Electronic Structure – Molecular Physics Achievement Award 

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Mr. Josep Oliva - Electronic Structure - Molecular Physics Achievement Award 

Spanish National Research Council - Spain

Author Profile

Scopus

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🎓 Early Academic Pursuits

Josep Oliva's academic journey began with a strong foundation in chemistry and chemical engineering. He completed his CHEMICAL ENGINEERING degree at the ETS Instituto Químico de Sarrià (Barcelona) in 1991, followed by a CHEMISTRY degree from Universidad Ramón Llull (Barcelona) in 1993. His academic pursuits culminated in two doctorates: one as a DOCTOR IN CHEMICAL ENGINEERING from ETS Instituto Químico de Sarrià in 1994, and another as a DOCTOR IN CHEMICAL SCIENCES from Universidad Ramón Llull in 1998. These formative years laid the groundwork for his later contributions to ELECTRONIC STRUCTURE and chemical theory.

💼 Professional Endeavors

Josep Oliva has built a distinguished career through roles in academia and research. He served as a VISITING ACADEMIC at the University of Bristol (UK) from 2002 to 2004, during which he delved into ELECTRONIC STRUCTURE modeling of extended systems and atomic interactions. His career also includes notable stints as a POSTDOCTORAL RESEARCHER at Bristol University, supported by prestigious programs such as MARIE-CURIE (1997-1999) and HCM (1996-1997). Oliva's tenure as a RESEARCHER at the Institute of Material Science of Barcelona - CSIC (1999-2002) further honed his expertise in computational chemistry and ELECTRONIC STRUCTURE.

🔬 Contributions and Research Focus

Oliva’s research is defined by his extensive exploration of ELECTRONIC STRUCTURE, particularly through the application of the VALENCE BOND THEORY to complex molecular systems. He made significant contributions in the study of boron chemistry, investigating the structure and behavior of molecules with multicenter bonds. His work at various renowned institutions, including the University of Texas A&M and the University of Paris-Sud, has focused on understanding the ELECTRONIC STRUCTURE of molecular systems, with particular emphasis on boron compounds and their applications in materials science and chemistry. His expertise in MOLECULAR MODELING and computational chemistry has been instrumental in advancing our understanding of the interactions and stability of complex chemical systems.

🌍 Impact and Influence

Josep Oliva’s influence extends globally through his international research collaborations and visiting professorships at leading universities such as the University of Paris-Sud, University of Bristol, and the Eidgenössische Technische Hochschule (ETH) Zurich. His pioneering work in ELECTRONIC STRUCTURE and valence bond theory has led to deeper insights into the molecular structure and reactivity of compounds, particularly those involving boron. His research has provided the foundation for subsequent studies on the design of new materials and molecular systems with unique properties.

🏆Academic Cites

Oliva’s academic citations reflect the impact of his work in ELECTRONIC STRUCTURE and computational chemistry. His publications in high-impact journals have garnered significant recognition in the field of chemistry and materials science. His ELECTRONIC STRUCTURE research continues to influence future studies on advanced chemical systems, especially those relevant to materials design and energy-related applications.

🌟 Legacy and Future Contributions

Looking ahead, Josep Oliva’s legacy in the field of ELECTRONIC STRUCTURE will undoubtedly continue to inspire future generations of chemists and researchers. His contributions to the understanding of molecular bonding and reactivity, particularly in boron-based systems, have paved the way for future breakthroughs in material science and sustainable chemistry. Oliva's ongoing research endeavors are expected to drive innovation in both theoretical and practical applications of ELECTRONIC STRUCTURE in materials development, energy storage, and advanced molecular systems.

📝Notable Publication

📝Striking Borane Planarization in the Thermal Rearrangement (η⁵-C₅H₅)Fe(η³-B₅H₁₀) → (η⁵-C₅H₅)Fe(η⁵-B₅H₁₀)

Authors: Ferrer, M., Alkorta, I., Elguero, J., Tiznado, W., Oliva-Enrich, J.M.

Journal: Chemistry - A European Journal

Year: 2024

Citations: 0

📝Towards 2D Borane Chemistry in Hexagonal Cyclic Compounds

Authors: López-Sánchez, R., Ferrer, M., Oliva-Enrich, J.M., Alkorta, I., Elguero, J.

Journal: ChemPhysChem

Year: 2024

Citations: 1

📝A Multi-FLP Approach for CO₂ Capture: Investigating Nitrogen, Boron, Phosphorus, and Aluminium Doped Nanographenes and the Influence of a Sodium Cation

Authors: Ferrer, M., Alkorta, I., Elguero, J., Oliva-Enrich, J.M.

Journal: Physical Chemistry Chemical Physics

Year: 2024

Citations: 1

📝(Pyridin-2-ylmethyl)triel Derivatives as Masked Frustrated Lewis Pairs: Interactions and CO₂-Sequestration

Authors: Ferrer, M., Alkorta, I., Elguero, J., Oliva-Enrich, J.M.

Journal: ChemPhysChem

Year: 2024

Citations: 2

📝Capture of CO₂ by Melamine Derivatives: A DFT Study Combining the Relative Energy Gradient Method with an Interaction Energy Partitioning Scheme

Authors: Ferrer, M., Alkorta, I., Elguero, J., Oliva-Enrich, J.M.

Journal: Journal of Physical Chemistry A

Year: 2024

Citations: 1

Umesh Yadava | Quantum mechanical calculations | Best Researcher Award

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Dr. Umesh Yadava | Quantum mechanical calculations | Best Researcher Award 

Deen Dayal Upadhyaya Gorakhpur University | India

AUTHOR PROFILE

EARLY ACADEMIC PURSUITS

Dr. Umesh Yadava's academic journey began at Deen Dayal Upadhyay Gorakhpur University (U.P.), India, where he completed his B.Sc. in 1997 and M.Sc. in Physics in 1999. He further pursued a Ph.D. in Physics at the same institution, in collaboration with CDRI, Lucknow, and successfully completed it in 2010. His early academic pursuits were marked by a strong focus on physics, laying a solid foundation for his future research in X-ray crystallography, molecular modeling, and quantum mechanical calculations.

PROFESSIONAL ENDEAVORS

Dr. Yadava's professional career is distinguished by a blend of teaching and research roles. He started as a Junior Research Fellow at MSB Division, CDRI, Lucknow (2000-2001), and later served as a lecturer at the Department of Physics, MGPG College, Gorakhpur (2001-2003). He then joined DDU Gorakhpur University as an Assistant Professor (2003-2013) and later as an Associate Professor (2013-2016). Since 2016, he has been a Professor in the Department of Physics at DDU Gorakhpur University. His post-doctoral fellowship at Albert Einstein College of Medicine, Bronx, New York (2014-2015), further enriched his research experience.

CONTRIBUTIONS AND RESEARCH FOCUS

Dr. Yadava's research interests include X-ray crystallography, molecular modeling, and quantum mechanical calculations. He has led several significant research projects, including a UGC Minor Research Project (2006-2008), a DST Fast Track Project (2011-2014) with an amount mobilized of Rs. 22 Lac, and the UGC's Raman Fellowship award (2014-15) with Rs. 24 Lac. His current major research project under CST, UP, mobilized Rs. 12 Lac for the period 2023-2026. His research has contributed to advancements in understanding molecular structures and quantum mechanical phenomena.

CITATIONS

  • Citations   1338
  • h-index     21
  • i10-index  38

IMPACT AND INFLUENCE

Dr. Yadava's work has had a substantial impact on the field of physics, particularly in the areas of X-ray crystallography and quantum mechanical calculations. His research has been recognized through various fellowships and awards, including the Raman Fellowship for Post-doctoral Studies in the USA awarded by UGC, New Delhi (2014), the Young Scientist award by DST, New Delhi (2011), and the Summer Research Fellowship jointly awarded by IAS, INSA, and NASI (2011). He has delivered numerous invited talks at national and international conferences, seminars, symposia, and workshops.

ACADEMIC CITATIONS

Dr. Yadava's research contributions have been widely cited in academic circles, underscoring the significance of his work in the scientific community. His studies on molecular modeling and quantum mechanical calculations have provided valuable insights into the behavior of complex molecular systems, influencing subsequent research in these areas.

LEGACY AND FUTURE CONTRIBUTIONS

Dr. Umesh Yadava's legacy in the field of physics is marked by his dedication to teaching, research, and administrative responsibilities. As the Director of the Institute of Engineering and Technology at DDU Gorakhpur University since 2023, he continues to shape the future of engineering education. His role as Warden of Sant Kabir Hostel and Program Officer of NSS (Shastri Unit) reflects his commitment to student welfare and community service. With life memberships in several prestigious scientific associations, including the Indian Crystallographic Association, Indian Biophysical Society, American Crystallographic Association, and Indian Science Congress Association, Dr. Yadava remains an influential figure in the scientific community.

QUANTUM MECHANICAL CALCULATIONS 

Dr. Yadava's expertise in quantum mechanical calculations has been a cornerstone of his research. His work in this area has not only advanced the understanding of molecular and atomic interactions but also paved the way for future innovations in material science and physics. The keywords associated with his research—quantum mechanical calculations, X-ray crystallography, and molecular modeling—highlight the core areas of his contributions and emphasize his role in pushing the boundaries of scientific knowledge.

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