Sergio Ricardo De Lazaro

Ponta Grossa State University

Prof. Sergio Ricardo de Lazaro is married, and he has two daughters living in Ponta Grossa, Paraná. Currently, he is a Full Professor in the Department of Chemistry of the State University of Ponta Grossa (UEPG). He has his Ph.D. degree in Chemistry and has published manuscripts with researchers from other countries. His development of studies in Material Chemistry or Molecules applies the Density Functional Theory (DFT). In scientific journals, his recognized documents internationally contribute to environmental, energy, and potential drugs from photocatalysis, charge transfer, and molecular reactivity. His research interests include theoretical analysis of the structural, electronic, magnetic, and morphological properties proposed paths to clarify chemical mechanisms associated with massive problems. He acts as a reviewer of manuscripts in international scientific journals.

Sergio Ricardo De Lazaro

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Latest work with IntechOpen by Sergio Ricardo De Lazaro

This book is a contribution to the fast and broad Density Functional Theory (DFT) applications of the last few years. Since 2000, the DFT has grown exponentially in several computational areas because of its versatility and reliability to calculate energy from electronic density. The fast DFT’s calculations show how scientists develop more codes focused to simulate molecular and material properties reaching better conclusions than with previous theories. More powerful computers and lower computational costs have certainly assisted the increased growth of interest in this theory. Each chapter presents a specific subject contributing to a vision of the great potential of the quantum/DFT simulations in high pressure, chemical reactivity, ionic liquid, chemoinformatic, molecular docking, and non-equilibrium state.

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