Carlo Gatti

Carlo Gati

Senior researcher at CNR ISTM

Expertise:  chemical bonding and materials properties; charge and spin density analyses; theoretical modelling

Research, publications, conferences: 93 Peer-reviewed publ. on Int. Jour, 10 chapters on inter. peer reviewed books, 1 edited book (Modern Charge Density Analysis) Springer 2012 (h-index 34 (ISI-WOS), 3322 citations; 35 Google Scholar, 4136 citations). Author (TOPOND-98)  or co-author (TOPXD, XD, NCImilano) of 4 worldwide distributed software packages for charge density research. 4 times discussion leader at Gordon Research Conferences (GRCs), 11 publications in peer reviewed conf. proceedings and 21 more publications related to congresses; 54 invited lectures in intern. (48) and in nation. (6) conferences, of which 22 plenary lectures; 3 industrial and 2 technical reports.

Professional/Academic Experience: 1979-1982 Research contracts with Breda Termomeccanica, Ansaldo Impianti and CNEN (ENEA) for reducing the radioactive contamination in nuclear plants. 1982-20131982-1986: CTP CNR-CSRSRC (Milano), 1986-1999: CNR Research Scientist, CNR-CSRSRC; 1999-2013:  CNR Senior Research Scientist, CSRSRC and CNR-ISTM; 1986-1989: Visiting scientist (Vis. Sci.) McMaster Univ. (Prof. Bader’s lab), Hamilton, Canada; 1992: Vis. Sci. IVIC, Caracas, Venezuela; 1996-1997: Vis. Sci. Center of Crystallographic Studies (Prof. Sine Larsen), Copenhaghen, Denmark; 1999: Vis. Sci. Dept. of Chem., University of Aarhus, DK; 1999-2000: Vis. Sci. Dept. of Chem. (Prof. P. Coppens), SUNY Buffalo, USA: January 2007: Prof. de premiere classe, LCM3B, Nancy; 2009: Vis. Sci. Institüt für Organische Chemie, Universität Würzburg, Germany; 2014: Visiting professor, LRCS-CNRS UMR 7314 Universitè Jules Verne, Amiens (France); 2010-2014 Appointed as one of the six international partners of the Center for Materials Crystallography (CMC,,  a Centre of Excellence established 1/1/2010, based on funding from The Danish National Research Foundation. CMC is aimed at exploiting the revolutionising opportunities provided by new X-ray and neutron sources to tackle important challenges in materials science).

Founding and research ID:  Chair of the Internat. Union of Crystallography (IUCr) Commission on Charge Spin and Momentum Densities, CSMD (2008-2011); member of this same Commission since 1999 and presently consultant; 2003-2007  Chair of the 2007 GRC on Electron Distrib. & Chemical Bonding; Co-chair of this same conference in 2004; Chair of Sagamore XVIII meeting June 2015; 2004-2014 Referee for DFG, ANR, ANRES, NSF, DOE, SNSF,NSERC; In particular (2005-2010) he has served as internat. reviewer of the DFG  for more than 70 projects of the priority program SPP 1178-3  on Experimental Electron Density as the key to understand chemical interactions; 1981-2014 PI of various national and inter. research projects, including two of the European Community.

Honors: Gregori Aminoff award 2013, Royal Swedish Academy of Sciences (Nobel Prize Academy). (see

Socio corrispondente residente Istituto Lombardo Accademia di Scienze e Lettere (since 2 October 2014)





1. F. Cargnoni, E. Nishibori, P. Rabiller, L. Bertini, G. J. Snyder, M. Christensen, C. Gatti*, B. B. Iversen*, Interstitial Zn atoms Do the Trick in Thermoelectric Zinc Antimonide, Zn4Sb3: A combined Maximum Entropy Method X-ray Electron Density and Ab Initio Electronic Structure Study, Chem. Eur. J. 10 (2004) 3861-3870.

2. M. S. Toprak, C. Stiewe, D. Platzek, S. Williams, L. Bertini, E. Müller, C. Gatti, Y. Zhang, M. Rowe, M. Muhammed, The impact of Nanostructuring on the Thermal Conductivity of Thermoelectric CoSb3, Adv. Funct. Mater. 14 (2004) 1189-1196.

3. L. Bertini, F. Cargnoni, C. Gatti, A chemical approach to the first-principles modeling of novel thermoelectric materials, CRC Press Taylor&Francis, Thermoelectrics Handbook: Macro to Nano, chapter 7, Edited by D.M. Rowe, 2006.

4. A.R. Oganov, J. Chen, C. Gatti, Yanzhang Ma, Yanming Ma, C. W. Glass, Z.  Liu, T. Yu, O. O. Kurakevych, V. L. Solozhenko,  Ionic high-pressure form of elemental boron, Nature 457 (2009) 863-868.

5. C. Gatti, The Source Function Descriptor as a Tool to Extract Chemical Information from Theoretical and Experimental Electron Densities, Struct. Bond. 147 (2012) 193-286.

6. G. Saleh, C. Gatti*, L. Lo Presti * and J. Contreras-García Revealing non-covalent interactions in molecular crystals through their experimental electron densities, Chemistry an European Journal, 18 (2012) 15523-15536.

7. C. Gatti and P. Macchi A guided tour through modern charge density analysis, chapter 1 , pages 1-78, in Modern Charge Density Analysis,  C. Gatti and P. Macchi (Eds), ISBN 978-90-481-3835-7, Springer, Dordrecht Heidelberg London New York, 2012.

8. Zhu Q., Jung D.Y., Oganov A.R., Gatti C., Glass C.W., Lyakhov A.O. , Xenon oxides and silicates at high pressures, Nature Chemistry 5 (2013) 61-65.

9. C. Gatti* Challenging chemical concepts through charge density of molecules and crystals, Phys. Scr. 87 (2013) 048102 (38 pp).

10. L. Lo Presti,* A. Orlando, L. Loconte, R. Destro, E. Ortoleva, R. Soave, C. Gatti* “Single N–C bond becomes shorter than a formally double N=C bond in a Thiazete-1,1-dioxide crystal: an experimental and theoretical study of strong crystal field effects”, Crystal Growth and Design, 14, (2014) 4418-4429