Luigi Cavallo, PhD

Principal Investigator

Professor of Chemical Science.

Current

Social Profile:

Research Interests

Prof. Cavallo’s research interests are in the understanding of the mechanics of reactions promoted by transition metals, in the development of tools for a better rationalization of structure and function relationship in organometallic compounds, to the computer aided rational design of catalysts.

Selected Publications

Iridium (I)-Catalyzed Enantioselective Hydroarylation of Alkenes via C-H bond Activation: Experiment and Computation.
Chemistry Europe: DOI 10.1002/chem.202001793
Rueping, Magnus; Shinde, Valmik; Mane, Manoj; Cavallo, Luigi.

Amino acid ionic liquids as potential candidates for CO2 capture: Combined density functional theory and molecular dynamics simulations.
Chemical Physics Letters: DOI 10.1016/j.cplett.2020.137239
Shaikh, Abdul Rajjak; Ashraf, Muhammad; AlMayef, Turki; Chawla, Mohit; Poater, Albert; Cavallo, Luigi.

Towards the online computer-aided design of catalytic pockets.
Nature Chemistry: DOI10.1038/s41557-019-0319-5
Falivene, Laura; Cao, Zhen; Petta, Andrea; Serra, Luigi; Poater, Albert; Oliva, Romina; Scarano, Vittorio; Cavallo, Luigi.

Structural and Energetic Impact of Non-natural 7-Deaza-8-Azaguanine, 7-Deaza-8-Azaisoguanine and their 7-Substituted Derivatives on H-bonding Pairing with Cytosine and Isocytosine.
ChemBioChem: DOI10.1002/cbic.201900245
Chawla, Mohit; Minenkov, Yury; Vu, Khanh B; Oliva, Romina; Cavallo, Luigi.

Toward the Design of New Suitable Materials for Solar Water Splitting Using Density Functional Theory.
ACS Omega: DOI10.1021/acsomega.8b02884
Harb, Moussab; Cavallo, Luigi.

    Education

    • Visiting Scientist, University of Calgary, Canada, 1992, 1995, 1998
    • Ph.D, Chemistry, University of Napoli, Italy, 1991

    Professional Profile

    2015-present: Professor of Chemical Science, King Abdullah University of Science and Technology (KAUST), Thuwal, Saudi Arabia.

    2012-2015: Associate Professor of Chemical Science, King Abdullah University of Science and Technology (KAUST), Thuwal, Saudi Arabia.

    2002-2012: Associate Professor of Industrial Chemistry, University of Salerno, Italy

    1994-2002: Assistant Professor of Industrial Chemistry, University of Napoli, Italy

    KAUST Affiliations

    Research Interests Keywords

    Catalysis