Prof. Antonino Famulari

Contact Information
Associate Professor of Chemistry
Dipartimento di Chimica, Materiali e Ingegneria Chimica “G. Natta”
Politecnico di Milano, Via L. Mancinelli 7, 20131 Milano (Italy)
Phone: +39-02-23993044 fax: +39-02-23993180 e-mail:,
WEB pages:

Antonino Famulari graduated in Chemistry with merit at the Università degli Studi di Milano in 1994 with the thesis: ”Parallel calculation in Quantum Monte Carlo” (supervisors: Prof. G. Morosi and Dr. P. Cremaschi). In 1998, he completed his PhD in the field of Molecular Modeling at the Università degli Studi di Milano. Title of the thesis: “Developement of ab inito theoretical methods for the study of intermolecular interactions” (Supervisor Prof. M. Raimondi, Coordinator Prof. C. Scolastico).
During the PhD he spent more then 9 months working in foreign countries. In particular he visited the Department of Chemistry of the University of Liverpool (Prof. D.L. Cooper), the Department of Chemistry of the Iowa State University (Prof. M. S. Gordon) and the Department of Chemistry of the University of Copenaghen (Prof. S. Rettrup).

Professional experience
He earned a post doctoral research grant by the Consiglio Nazionale delle Ricerche (1998) and later a Contract of Research in the field of Chemical Science at the Dipartimento di Chimica Fisica ed Elettrochimica, Università degli Studi di Milano (1999-2001).
In 2000 he was appointed at a Permanent Research position by the CNR center ISTM (Scienze e Tecnologie Molecolari) of Milan. In December 2001 he moved as an Assistant Professor to the Dipartimento di Chimica, Materiali e Ingegneria Chimica “Giulio Natta” of the Politecnico di Milano joining the research group of Prof. Allegra and Prof. Meille. Since 1 November 2014 he was appointed to an Associate Professor position.

Research Interests
At the beginning of his research activity, he worked on the development of new methods for the calculation of accurate intermolecular interactions; the approaches are available as standard options in general software such as GAMESS-US package. Currently he is working on: (i) Molecular Modeling of non-covalent interactions focusing to the study of molecules and macromolecules in the crystallization and self-organization processes (from molecular mechanics and dynamics to ab initio quantum mechanical approaches also including methods specific for solid phases) and (ii) X-ray scattering methodologies including both WAXD and SAXS techniques. Main research interests are: a) structure and morphology of molecules (including oligomers and polymers) and di metal organic frameworks (MOFs) and of composites and nanocomposites with particular attention to innovative materials in the field of the organic electronics, organic heterojunction photovoltaics and sensor and optical applications aiming to the formulation of structure-property relationships; b) intermolecular interactions in various materials including ionic liquids and systems of biological interests. He collaborated with several international research groups (Professor M. S. Gordon, Iowa State University; Dr Carlo Gatti, CNR of Milan; Professor A.R. Khokhlov, Physics Department, Moscow State University; Professor D. L. Cooper, University of Liverpool;). He is the author of more than 110 scientific papers on various international journals (more than 2700 citations, H-index 30, SCOPUS, March 2022), 3 patents and more than 60 communications to international conferences. In 2014 he obtained 3 national scientific qualifications as Associate Professor (SSD: 03/B1 Principles of chemistry and inorganic systems, 03/B2 Chemical Foundations of Technologies and 03/C2 Industrial and applied chemistry) and 1 national scientific qualification as Full Professor (SSD: 03/B2) confirmed in 2018. Antonino Famulari was leader of projects in the field of PRIN and CINECA financial support. The teaching experience of the candidate was mainly in the basic courses of Chemistry for Engineering (bachelor Science) students with large classes (SSD:03/B2) but he is has also teaching activity in the framewotk of the Material Engineering (Master of Science) at Politecnico of Milan: “Chemistry of Materials” (in English). He is co-author of a Chemistry exercises book (4 revised versions) for Technical and Scientific bachelor courses. In addition, he has a teaching activity (in English) in the courses for PhD students at Politecnico di Milano: Molecular Modelling, Structure and statistical properties of polymers, Characterization techniques of materials (X ray diffraction WAXS and SAXS and thermal analysis). ORCID: 0000-0001-5287-1092.

Selected Publications

1. Torresi, S., Famulari, A., Martí-Rujas, J. (2020). Kinetically Controlled Fast Crystallization of M12L8 Poly-[n]-catenanes Using the 2,4,6-Tris(4-pyridyl)benzene Ligand and ZnCl2 in an Aromatic Environment. JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, vol. 142, p. 9537-9543, ISSN: 0002-7863, doi: 10.1021/jacs.0c03319.

2. Catalano, Luca, Karothu, Durga Prasad, Schramm, Stefan, Ahmed, Ejaz, Rezgui, Rachid, Barber, Timothy J., Famulari, Antonino, Naumov, Panče (2018). Dual-Mode Light Transduction through a Plastically Bendable Organic Crystal as an Optical Waveguide. ANGEWANDTE CHEMIE. INTERNATIONAL EDITION, vol. 57, p. 17254-17258, ISSN: 1433-7851, doi: 10.1002/anie.201810514.

3. Saglio, B., Mura, M., Massetti, M., Scuratti, F., Beretta, D., Jiao, X., McNeill, C. R., Sommer, M., Famulari, A., Lanzani, G., Caironi, M., Bertarelli, C. (2018). N -Alkyl substituted 1 H -benzimidazoles as improved n-type dopants for a naphthalene-diimide based copolymer. JOURNAL OF MATERIALS CHEMISTRY. A, vol. 6, p. 15294-15302, ISSN: 2050-7488, doi: 10.1039/c8ta04901g.

4. Li, Haitao, Guo, Fang, Kou, Meng, FAMULARI, ANTONINO, Fu, Qiang, Marti Rujas, Javier (2017). Gas-Solid Chemisorption/Adsorption and Mechanochemical Selectivity in Dynamic Nonporous Hybrid Metal Organic Materials. INORGANIC CHEMISTRY, vol. 56, p. 6584-6590, ISSN: 0020-1669, doi: 10.1021/acs.inorgchem.7b00698.

5. Guo, Fang, Wang, Zhen, Zhang, Jin Jing, FAMULARI, ANTONINO, Li, Hai Tao, Martí Rujas, Javier (2017). Insights into the electron-donating and withdrawing effect of the functional groups on mechanochemical dehydrochlorination reactions. DALTON TRANSACTIONS, vol. 46, p. 9466-9471, ISSN: 1477-9234, doi: 10.1039/c7dt01710c.

6. Baggioli, A., Famulari, A. On the inter-ring torsion potential of regioregular P3HT: A first principles reexamination with explicit side chains (2014) PHYSICAL CHEMISTRY CHEMICAL PHYSICS, 16 (9), pp. 3983-3994. DOI: 10.1039/c3cp54688h.

7. Antonino Famulari, Guido Raos, Alberto Baggioli, Mosè Casalegno, Riccardo Po, Stefano Valdo Meille (2012). A Solid State Density Functional Study of Crystalline Thiophene-Based Oligomers and Polymers. JOURNAL OF PHYSICAL CHEMISTRY. B, CONDENSED MATTER, MATERIALS, SURFACES, INTERFACES & BIOPHYSICAL, vol. 116, p. 14504-14509, ISSN: 1520-6106, doi: 10.1021/jp310066q.