Arrigo Calzolari

  • CNR Researcher
  • arrigo.calzolari@nano.cnr.it
  • Modena
  • +39-059-2055627
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Short Bio

Arrigo Calzolari received his PhD in Physics at the University of Modena and Reggio Emilia in 2003. He is senior researcher at Institute of Nanoscience (CNR-NANO) in Modena since 2010, and Adjunct Professor at Mechanical Engineering and Material Science Dept., Duke University, NC USA (2023-present). AC is faculty member of the PhD school in Physics and Nanoscience at University of Modena and Reggio Emilia (since 2018), member of scientific panel of PRACE-ICEI EU initiative (since 2020), member of the European Materials Modelling Council- EMMC ASBL (since 2021), and member of the AFLOW consortium for Materials Genomics (since 2015). Previously, he operated as researcher at CNR-IOM Institute (Trieste, IT, 2009-2010), as external collaborator at SISSA (Trieste IT, 2013-2015), and adjunct research professor at Physics Dept., University of North Texas (Denton TX, USA 2012-2014). Qualified for Full Professorship in Theoretical Condensed Matter (Abilitazione Scientifica Nazionale, I Fascia, Settore 02/B2). Calzolari coordinates the research group “ab initio materials simulations for optoelectronics and energy - AMUSE'', which operates in the field of condensed-matter and solid-state physics, performing atomistic simulations at the classical and quantum mechanical level.

Research Interests

My research activity is focused on computational material science, mostly based on ab initio studies - within the Density Functional Theory (DFT) framework and beyond (TDDFT, DFPT) - of the structural, electronic, optical, vibrational, plasmonic and transport properties of materials, nanostructures, molecules, and interfaces, for energy production/conversion/storage, electronics, and nanotechnology applications. The research activity deals both with the application of state-of-the-art packages for (TD)DFT calculations to interesting physical systems, and with the development and the implementation of original methods for the evaluation of the electronic and transport properties in nanostructure (WanT PROJECT) and spectroscopies (AFLOWpy project).

 

Specific themes of research include: (i) alternative materials for plasmonics; (ii) amorphous and disordered systems for synaptic and power electronics; (iii) hybrid interfaces for organic electronics, catalysis and spintronics; (iv) soft-matter and low-dimensional systems for optoelectronics and energy; (v) development and implementation of numerical methods for materials analysis.

 

For further details and the complete list of publications visit http://amuse.nano.cnr.it

Selected Recent Projects

INTERSECT (PC) https://intersect-project.eu
OPENMODEL (PI) https://cordis.europa.eu/project/id/953167
AMONIX https://www.nano.cnr.it/amonix
ICSC- National Centre for HPC, Big Data and Quantum Computing https://www.supercomputing-icsc.it/en/icsc-home

Selected Publications

- S. Divilov, H. Eckert, D. Hicks, C. Oses, C. Toher, R. Friedrich, M. Esters, M. J. Mehl, A. C. Zettel, Y. Lederer, E. Zurek, J.-P. Maria, D. W. Brenner, X. Campilongo, S. Filipović, W. G. Fahrenholtz, C. J. Ryan, C. M. DeSalle, R. J. Crealese, D. E. Wolfe, A. Calzolari, and S. Curtarolo. "Disordered enthalpy–entropy descriptor for high-entropy ceramics discovery", Nature 625, 66–73 (2024).

 

- F. Tavanti and A. Calzolari. "Concurring effect of doping and composition on the thermodynamic properties of amorphous GexSe1-x alloys", Acta Materialia, 266, 119676 (2024).

 

- A. Calzolari, C. Oses, C. Toher, M. Esters, X. Campilongo, S. P. Stepanoff, D. E. Wolfe and S. Curtarolo. "Plasmonic high-entropy carbides", Nature Communications 13, 5993 (2022). 

 

- V. Lloveras, P. Elías-Rodríguez, L. Bursi, A. R. Goñi, A. Calzolari, and J. Vidal-Gancedo. "Reversible electrochemical switch based on spin-labelled gold nanoparticles with optical and magnetic responses", NanoLett. 22, 768 (2022).

 

- T. Junghoefer, A. Calzolari, I. Baev, M. Glaser, F. Ciccullo, E. Giangrisostomi, R. Ovsyannikov, F. Kielgast, M. Nissen, J. Schwarz, N. M. Gallagher, A. Rajca, M. Martins, and M. B. Casu. "Magnetic ordering in metal-free radical thin films", Chem. 8, 1 (2022).

 

- A. Calzolari, A. Catellani, M. Buongiorno Nardelli, and M. Fornari. "Hyperbolic metamaterials with extreme mechanical hardness", Adv. Opt. Mater. 9, 2001904 (2021).

 

- D. Shah, A. Catellani, H. Reddy, N. Kinsey, V. Shalaev, A. Boltasseva, and A. Calzolari. "Controlling the plasmonic properties of ultrathin TiN films at the atomic level", ACS Photonics 5, 2816 (2018).

Istituto Nanoscienze 

Consiglio Nazionale delle Ricerche

 

PEC: protocollo.nano@pec.cnr.it

Partita IVA 02118311006

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Pisa NEST

Piazza San Silvestro 12

56127 Pisa, Italy

phone +39 050 509418

fax +39 050 509550

segreteria.nest@nano.cnr.it

Modena S3
via Campi 213/A
41125 Modena, Italy
phone +39 059 2055629
fax +39 059 2055651
segreteria.s3@nano.cnr.it

Istituto Nanoscienze Consiglio Nazionale delle Ricerche

Facebook-f Instagram Twitter Linkedin
Pisa NEST

Piazza San Silvestro 12, I
56127 Pisa

phone +39 050 509525/418

fax +39 050 509550

Modena S3

via Campi 213/A, I 

41125 Modena 7

phone +39 059 2055629

fax +39 059 2055651″