Kazunari Yoshizawa | Quantum Chemistry | Best Researcher Award

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Prof. Kazunari Yoshizawa | Quantum Chemistry | Best Researcher Award

PHD at Kyoto University, Japan

Kazunari Yoshizawa is the Vice Director of the Institute for Materials Chemistry and Engineering at Kyushu University in Fukuoka, Japan. He earned his PhD from Kyoto University, where he studied under Professors Kenichi Fukui and Tokio Yamabe. Yoshizawa’s career includes roles as a researcher at Nippon Kokan Steel Company, a JSPS Fellow, and a visiting scientist at Cornell University. He has held academic positions at Kyoto University and Kyushu University, where he became Professor Emeritus in 2024. Renowned for his contributions to chemistry, Yoshizawa has received numerous awards and serves as an associate editor for prominent chemistry journals.

Professional Profiles

Education

1978–1982: Kyoto University (Prof. Kenichi Fukui) 1982–1984: Graduate School of Engineering, Kyoto University 1989–1992: Graduate School of Engineering, Kyoto University Received a PhD (Prof. Tokio Yamabe)

Professional Career

1984–1988: Researcher at the Central Laboratory, Nippon Kokan Steel Company 1992–1994: JSPS Fellow at Kyoto University and at the Institute for Fundamental Chemistry 1994–1995: Visiting Scientist at Cornell University (Prof. Roald Hoffmann) 1995–1997: Assistant Professor at Kyoto University 1997–2001: Associate Professor at Kyoto University 2001–2024: Professor at Kyushu University 2024-: Professor Emeritus, Kyushu University and Researcher, Kyoto University

Awards and Honors

The Chemical Society of Japan BCSJ Award (8 times) The Chemical Society of Japan Award for Creative Work (2011) Brown & Williamson Distinguished Guest Speaker, Louisville University (2016) The Japan Coordination Chemistry Society Award (2018) The Japan Society for Molecular Science Award (2022) The Chemical Society of Japan Award (2024)

Research Focuse

K. Yoshizawa’s research primarily focuses on theoretical and computational chemistry, with significant contributions to the understanding of chemical reactions and molecular properties using density functional theory (DFT) and other quantum chemical methods. His work encompasses a range of topics, including the mechanisms of enzyme-catalyzed reactions, quantum transport in molecular wires, and catalytic processes on nanoparticles. Yoshizawa has explored the activation of small molecules, such as methane, and the behavior of complex molecular systems, including carbon nanotubes and conductive polymers. His studies often bridge fundamental chemical theory with practical applications in catalysis and materials science.

Publications

  1. Catalytic transformation of dinitrogen into ammonia and hydrazine by iron-dinitrogen complexes bearing pincer ligand, Publication date: 2016.
  2. Catalytic reduction of dinitrogen to ammonia by use of molybdenum–nitride complexes bearing a tridentate triphosphine as catalysts, Publication date: 2015.
  3. Remarkable catalytic activity of dinitrogen-bridged dimolybdenum complexes bearing NHC-based PCP-pincer ligands toward nitrogen fixation, Publication date: 2017.
  4. Interplay between theory and experiment for ammonia synthesis catalyzed by transition metal complexes, Publication date: 2016.
  5. Direct transformation of molecular dinitrogen into ammonia catalyzed by cobalt dinitrogen complexes bearing anionic PNP pincer ligands, Publication date: 2016.
  6. Direct conversion of methane to methanol by metal-exchanged ZSM-5 zeolite (Metal= Fe, Co, Ni, Cu), Publication date: 2016.
  7. Methane selective oxidation to methanol by metal-exchanged zeolites: a review of active sites and their reactivity,Publication date: 2019.
  8. Catalytic nitrogen fixation via direct cleavage of nitrogen–nitrogen triple bond of molecular dinitrogen under ambient reaction conditions, Publication date: 2017.
  9. Roles of Zeolite Confinement and Cu–O–Cu Angle on the Direct Conversion of Methane to Methanol by [Cu2(μ-O)]2+-Exchanged AEI, CHA, AFX, and MFI Zeolitesm , Publication date: 2017.
  10. Phenylamine-functionalized mesoporous silica supported PdAg nanoparticles: a dual heterogeneous catalyst for formic acid/CO 2-mediated chemical hydrogen delivery/storage, Publication date: 2017.

 

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Jorge Martínez-Araya | Quantum Chemistry | Best Researcher Award

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Assoc Prof Dr. Jorge Martínez-Araya | Quantum Chemistry | Best Researcher Award

Associate Professor at Universidad Andrés Bello,  Chile

Jorge Ignacio Martínez Araya is a pioneering figure in computational materials science and mathematical chemistry. With a Doctorate Degree in Chemistry from Pontificia Universidad Católica de Chile, he has garnered recognition for his groundbreaking research, earning prestigious awards and grants. Currently serving as an Associate Professor at Universidad Andrés Bello, Santiago de Chile, he passionately delves into topics such as homogeneous catalysis, molecular hydrogen production, and environmentally friendly chemicals for mining. Martínez Araya’s expertise and dedication underscore his profound impact on advancing scientific knowledge and inspiring future generations of chemists.

Professional Profiles:

Scopus 

Orcid

Googlescholar

Researchgate

LinkedIn

Education:

Doctorate Degree in Chemistry: Pontificia Universidad Católica de Chile (PUC), Santiago de Chile, 2003–2008. Advisor: Professor Dr. Alejandro Toro–Labbé. Licentiate in Chemistry, Chemist: PUC, 1995–2002.

Professional Expertise:

Associate Professor: Universidad Andrés Bello, Santiago de Chile (since 2019). Full Research Professor: Universidad Autónoma de Chile, Santiago de Chile (2013–2014). Chief of Research Projects: Universidad Pedro de Valdivia, Santiago de Chile (2011–2013). Postdoctoral Scientist: Universidad Técnica Federico Santa María, Valparaíso, Chile (2008–2009). Teaching Experience: Taught various chemistry courses at different universities in Chile, focusing on both theoretical and practical aspects.

Research Interests:

Computational Materials Science: Compounds for homogeneous catalysis, molecular hydrogen production and/or storage; environmentally friendly chemicals for mining; energetic materials; small molecules of biological interest. All within the framework of Quantum Chemistry. Mathematical Chemistry: Reactivity descriptors mainly in the framework of Conceptual Density Functional Theory (CDFT); exploration of other descriptors from different theories and methodologies based on higher-order reaction force and molecular electrostatic potential.

Grants and Awards:

Honorable Mention Award for Doctoral Thesis (Academia Chilena de Ciencias), 2010. Excellence Award in Natural and Exact Sciences (PUC) for Doctoral Thesis, 2008. Various scholarships and grants from CONICYT and other institutions for research and academic achievements. Software and Operating Systems: Proficient in LaTex, Origin, Mathematica, Gaussian, GaussView, Spartan, ChemDraw, Chemissian, AOMix, and DGrid. Experience with Windows, Mac, and Linux. Participation in Research Projects: Actively involved in numerous research projects focusing on computational materials science and mathematical chemistry, funded by FONDECYT and other institutions.

Research Focus:

Jorge Ignacio Martínez Araya specializes in theoretical and computational chemistry, with a particular focus on exploring the aromaticity and reactivity of energetic compounds. His research delves into understanding the molecular electrostatic potential, magnetic properties, electronic delocalization, and reactivity-based indices of six-membered nitro energetic compounds. Additionally, he investigates local reactivity descriptors, such as local hyper-softness and local softness, to elucidate their applicability in assessing molecular reactivity. Through his work, Martínez Araya contributes significantly to advancing our understanding of chemical phenomena at the molecular level, with implications for various fields including materials science and chemical engineering.

Publications (TOP NOTES)

  1. 1, 3-Dipolar Cycloadditions by a Unified Perspective Based on Conceptual and Thermodynamics Models of Chemical Reactivity, cited by: 8, Publication: 2021.
  2. A statistical thermodynamics view of electron density polarisation: application to chemical selectivity, cited by: 8, Publication: 2020.
  3. Physicochemical and theoretical characterization of a new small non-metal schiff base with a differential antimicrobial effect against gram-positive bacteria, cited by: 7, Publication: 2022.
  4. Theoretical investigation of the effect of O⋯ M={Ti, Zr, Hf} interactions on the sensitivity of energetic N-nitro compounds, cited by: 4, Publication: 2023.
  5. The Dual Descriptor Reveals the Janus–Faced Behaviour of Diiodine, cited by: 3, Publication: 2022.
  6. An intermediate level of approximation for computing the dual descriptor, cited by: 3, Publication: 2013.
  7. Explaining the High Catalytic Activity in Bis (indenyl) methyl Zirconium Cation Using Combined EDA‐NOCV/QTAIM Approach, cited by: 2, Publication: 2023.
  8. A combined QTAIM/IRI topological analysis of the effect of axial/equatorial positions of NH2 and CN substituents in the [(PY5Me2) MoO]+ complex, cited by: 2, Publication: 2022.
  9. Analysis in silico of chemical reactivity employing the local hyper‐softness in some classic aromatic compounds, boron aromatic clusters and all‐metal aromatic clusters, cited by: 2, Publication: 2022.
  10. The effect of {O, N}= X⋯ M={Ti, Zr, Hf} interactions on the sensitivity of CNO2 trigger bonds in FOX-7: Approach based on the QTAIM/EDA-NOCV analysis, cited by: 1, Publication: 2024.
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