Provide a computational support to the development of new catalysts:

• Develop new steric descriptors for the quantification of steric and electronic effects in transition metal based catalysts with the aim to rationalize the disorganized and chaotic catalytic space, to orientate experimental efforts towards possibly well performing catalysts, and away from the ineffective ones.

• Rationalize new catalysts in strict collaboration with experimental groups through detailed mechanistic studies.

• Use the computational techniques to screen novel catalyst architectures more rapidly, and to obtain insights that could help in the design andn experimental synthesis of novel and improved catalysts.

• Insights into the Halogen Oxidative Addition Reaction to Dinuclear Gold(I) Di(NHC) Complexes
  M. Baron, C. Tubaro, M. Basato, A.A. Isse, A. Gennaro, L. Cavallo, C. Graiff, A. Dolmella,...
  Chem. Eur. J., 22, 10211, (2016)
• Nitrite to nitric oxide interconversion by heme FeII complex assisted by [CuI(tmpa)]
  F. Turias, M. Solà, L. Falivene, L. Cavallo, A. Poater
  Structural Chemistry February  Volume 27, Issue 1, 409-417, (2016)
• Proton-Transfer Polymerization by N-Heterocyclic Carbenes: Monomer and Catalyst Scopes and Mechanism for Converting...
  M. Hong, X. Tang, L. Falivene, L. Caporaso, L. Cavallo and E. Y.-X. Chen
  J. Am. Chem. Soc., 2016, 138 (6), 2021-2035, (2016)
• SambVca 2. A Web Tool for Analyzing Catalytic Pockets with Topographic Steric Maps
  L. Falivene, R. Credendino, A. Poater, A. Petta, L. Serra, R. Oliva, V. Scarano, L. Caval...
  Organometallics, 35 (13), 2286-2293, (2016)
• Selective Reduction of CO2 to CH4 by Tandem Hydrosilylation with Mixed Al/B Catalysts
  J. Chen, L. Falivene, L. Caporaso, L. Cavallo, E.Y.-X. Chen,
  J. Am. Chem. Soc. 138, 5321-5333, (2016)
• Buried Volume Analysis for Propene Polymerization Catalysis Promoted by Group 4 Metals: A Tool for Molecular Mass P...
  L. Falivene, L. Cavallo and G. Talarico
  ACS Catal 5 (11), 6815-6822, (2015)
• Mechanism of the Transmetalation of Organosilanes to Gold
  L. Falivene, D. J. Nelson, S. Dupuy, S. P. Nolan, A. Poater, and L. Cavallo
  ChemistryOPen, (2015)
• Variation of the Sterical Properties of the N-Heterocyclic Carbene Coligand in Thermally Triggerable Ruthenium-Base...
  E. Pump, A. Leitgeb, A. Kozlowska, A. Torvisco, L. Falivene, L. Cavallo, K. Grela and C. ...
  Organometallics, 34 (22), 5383-5392, (2015)
• Chain propagation and termination mechanisms for polymerization of conjugated polar alkenes by [al]-based frustrate...
  J. He, Y. Zhang, L. Falivene, L. Caporaso ∥, L. Cavallo, E. Y.-X. Chen
  Macromolecules, 47 (22), 7765-7774, (2014)
• Inverting the diastereoselectivity of the mukaiyama–michael addition with graphite-based catalysts
  M.R. Acocella, M. Mauro, L. Falivene, L. Cavallo, G. Guerra
  ACS Catal., 4, 492-496, (2014) 

• ​Ph.D., Chemistry, University of Salerno, ITALY, 2014 

• ​July 2014- July 2015: Postdoctoral fellow, KAUST (SABIC), Thuwal, Saudi Arabia

• ​ACS

• ​SABIC postdoctoral fellowship award 2014

• KAUST catalysis Center (KCC)

• Division of Physical Science and Engineering (PSE)