Fausto Cargnoni


Research Scientist at CNR-ISTM

Expertise:  theoretical modelling

Laurea degree in chemistry gained in 1994 at Università degli Studi di Milano (final evaluation: 110/110 cum laude). Title of the thesis: The Quantum Theory of Atoms in Molecules: characterization of the hydrogen bond in molecular organic crystals. Supervisor Prof. Riccardo Destro, co-supervisor Dr. Carlo Gatti.


Licence to the profession of chemist gained in 1994 at Università degli Studi di Pavia (final evaluation 101/120).


Specialization degree in materials science and technology gained in 1998 at Università degli Studi di Milano (final evaluation 70/70 cum laude). Title of the thesis: Computational techniques for the characterization of surfaces, self-assembled layers and point defects in crystalline silicon. Supervisor Prof. Dario Narducci, co-supervisor Dr. Carlo Gatti.


Philosophy Doctor degree in chemical sciences gained in 2000 at Università degli Studi di Milano. Title of the thesis: Computationsl techniques for the analysis of the atomic and bonding properties in silicon surfaces. Supervisor Prof. Ermanno Gianinetti, co-supervisor Dr. Carlo Gatti.


2000-2001: Assistant staff researcher at the Department of Chemical Physics and Electrochemistry (Università degli Studi di Milano). Supervisor Prof. Mario Raimondi. Research ares: Development and application of methods for the simulation of complex systems with biological interest.


2001-present: Staff researcher at Consiglio Nazionale delle Ricerche – Istituto di Scienze e Tecnologie Molecolari, based in Milan.

Author of 27 publications on peer reviewed journals and a scientific book chapter (H-index: 11).



Recent publications

1. F. Cargnoni, G. Molteni, D. L. Cooper, M. Raimondi, A. Ponti, The electronic structure of nitrilimine: Absence of the carbenic form, Chem. Comm. (2006) 1030.

2. L. Bertini, F. Cargnoni, C. Gatti, Chemical insight from electron density and wavefunctions: Software developments and applications to crystals, molecular complexes and materials science, Theor. Chem. Acc. 117 (2007) 847.

3. F. Cargnoni, M. Mella, M. Raimondi, Application of Valence-Bond techniques to the study of weakly bound complexes. The potential energy surface of the Ne-CH4 system, Phys. Chem. Chem. Phys. 9 (2007) 2457.

4. F. Cargnoni, T. Kùs, M. Mella, R. J. Bartlett, Ground state potential energy surfaces and bound states of M-He dimers (M=Cu, Ag, Au): A theoretical investigation, J. Chem. Phys. 129 (2008) 204307.

5. F. Cargnoni, M. Raimondi, Results and perspectives of the MO-VB method. Application examples on the He2 and the LiH-He complexes, Phys. Chem. Chem. Phys. 12 (2010) 4224.

6. M. Mella, F. Cargnoni, Solubility of metal atoms in helium droplets: Exploring the effect of the well depth using the coinage metals Cu and Ag, J. Phys. Chem. A 115 (2011) 7141.

7. N. Bindzus, F. Cargnoni, B. B. Iversen, C. Gatti, A theoretical study on the rotational motion and interactions in the disordered phase of MBH4 (M=Li, Na, K, Rb, Cs), J. Phys. Chem. C 117 (2013) 2308.

8. F. Cargnoni, A. Ponti, M. Mella, Coinage metal exciplexes with helium atoms: A theoretical study of M*(2L)Hen (M=Cu, Ag, Au; L=P, D), Phys. Chem. Chem. Phys. 15 (2013) 18410.

9. D. Mateo, A. Leal, A. Hernando, M. Barranco, M. Pi, F. Cargnoni, M. Mella, X. Zhang, M. Drabbels, Nucleation uf quantized vortex rings in 4He nanodroplets, J. Chem. Phys. 140 (2014) 131101.

10. M. Mella, F. Cargnoni, Exciplexes with ionic dopants Stability, structure, and experimental relevance of M+(2P)4Hen (M=Sr, Ba), J. Phys. Chem. A 118 (2014) 6473.