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“My research focuses on developing and applying computational catalysis techniques to advance chemical solutions for 21st-century energy and environmental challenges"

Program Affiliations

Biography

Dr. Luigi Cavallo is a professor of chemistry within the Physical Science and Engineering Division at KAUST, and director of the Computational Chemistry Laboratory. Recognized by peers for his substantial contributions to the field of catalysis and computational chemistry, his academic career began in the Chemistry Department of Naples University in Italy, where he taught macromolecular chemistry. Since joining the Chemistry Program of KAUST in 2011, Professor Cavallo has achieved the highest standards of research. He is sought as an international collaborator on projects involving the mechanics of catalysts at work, and as a lecturer, having given more than 100 presentations as an invited speaker. He is the author of around 500 published papers, 50 of which were featured in the Journal of the American Chemical Society, and 20 in the Angewandte Chemie International Edition. He is a dedicated mentor to his students, fostering an inclusive, innovative and collaborative learning environment for them to excel.

Research Interests

Dr. Cavallo strives to understand, and ultimately solve, chemical problems using the full armory of tools available within the field of computational chemistry. He is a world expert in the field of olefin polymerizations, olefin metathesis, N-heterocyclic carbenes, and photoredox transition metal catalysis. Professor Cavallo’s research covers a wide-expanse of territory, from clarifying structure and function relationships in organometallic compounds, to unraveling the mechanics of heterogeneous and homogeneous catalysts, to the development of molecular descriptors to reorganize catalysts in space using machine learning tools. His molecular descriptors are regarded by peers as “the gold standard” in the characterization of organometallic complexes, used to design high-performing catalysts.

Keyword tag icon
machine learning tools chemical solutions for energy olefin metathesis organometallic compounds photoredox catalysis

Education Profile

  • Ph.D. Chemistry, University of Napoli, 1991

  • Laurea, Chemistry, University of Napoli, 1987

Awards and Recognitions

  • Saudi Arabia Leader Award, Research.com, 2022-2024

  • Clarivate Highly Cited Scientist 2024

  • Fellow, European Academy of Sciences, 2024

  • Ziegler-Natta Lectureship Award, German Chemical Society, 2015

  • Bright Future in Chemistry, Italian Association of Chemical Industries, 2008

Publications

Research Areas

  • Chemical Science
  • Extreme Computing

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