2026 Arrigo Calzolari: Materials Science Researcher – H-Index, Publications & Awards

Discipline name	D-Index	World Ranking	Current World Ranking	National Ranking	Current National Ranking	Publications	Citations
Materials Science	43	12405	11996	288	280	208	6049

Overview

Arrigo Calzolari is affiliated with the National Research Council (CNR) in Italy. Their primary fields of study include Materials Science and Engineering, with significant contributions also to subfields such as Materials Chemistry, Electrical and Electronic Engineering, Electronic, Optical and Magnetic Materials, Atomic and Molecular Physics, and Optics, as well as Biomedical Engineering.

The scientist's research focuses on a variety of advanced topics, including:

ZnO doping and properties
Molecular Junctions and Nanostructures
Phase-change materials and chalcogenides
Quantum Dots Synthesis And Properties
Advanced Chemical Physics Studies
Semiconductor materials and devices
Catalysis and Oxidation Reactions

Recent publications by Arrigo Calzolari include:

"Disordered enthalpy-entropy descriptor for high-entropy ceramics discovery" (2024) published in Nature
"High-Spin ( S = 1) Blatter-Based Diradical with Robust Stability and Electrical Conductivity" (2022) published in Journal of the American Chemical Society
"Plasmonic high-entropy carbides" (2022) published in Nature Communications
"aflow.org: A web ecosystem of databases, software and tools" (2022) published in Computational Materials Science
"Controlling the TiN Electrode Work Function at the Atomistic Level: A First Principles Investigation" (2020) published in IEEE Access

Frequent co-authors in their work include:

Stefano Curtarolo (9 publications)
Alessandra Catellani (9 publications)
Maria Benedetta Casu (8 publications)
Andrzej Rajca (8 publications)
Francesco Tavanti (8 publications)

Arrigo Calzolari has published multiple papers in notable venues such as:

arXiv (Cornell University) - 5 publications
Computational Materials Science - 2 publications
IEEE Access - 2 publications
Journal of Materials Chemistry C - 2 publications
Nano Letters - 2 publications

Best Publications

Ab initio transport properties of nanostructures from maximally localized Wannier functions

Arrigo Calzolari;Nicola Marzari;Ivo Souza;Marco Buongiorno Nardelli

320
Citations
Spontaneous polarization and piezoelectricity in boron nitride nanotubes

S. M. Nakhmanson;A. Calzolari;V. Meunier;V. Meunier;J. Bernholc;J. Bernholc

272
Citations
Zn vacancy induced green luminescence on non-polar surfaces in ZnO nanostructures

F. Fabbri;M. Villani;A. Catellani;A. Calzolari

197
Citations
Disordered enthalpy–entropy descriptor for high-entropy ceramics discovery

Unknown

189
Citations
Electronic structure of single DNA molecules resolved by transverse scanning tunnelling spectroscopy.

Errez Shapir;Hezy Cohen;Arrigo Calzolari;Carlo Cavazzoni

186
Citations
Mixing of electronic states in pentacene adsorption on copper.

Andrea Ferretti;Chiara Baldacchini;Arrigo Calzolari;Rosa Di Felice

163
Citations
Dielectric properties and Raman spectra of ZnO from a first principles finite-differences/finite-fields approach

Arrigo Calzolari;Marco Buongiorno Nardelli

153
Citations
Thermoelectric properties of graphene nanoribbons, junctions and superlattices

Y Chen;T Jayasekera;A Calzolari;K W Kim

131
Citations
Anchor Group versus Conjugation: Toward the Gap-State Engineering of Functionalized ZnO(101̅0) Surface for Optoelectronic Applications

Arrigo Calzolari;Alice Ruini;Alessandra Catellani

127
Citations
Highly conductive self-assembled nanoribbons of coordination polymers

Lorena Welte;Arrigo Calzolari;Rosa Di Felice;Felix Zamora

122
Citations
Ab initio study of model guanine assemblies: The role of π − π coupling and band transport

Rosa Di Felice;Arrigo Calzolari;Elisa Molinari;Anna Garbesi

115
Citations
Modification of molecular spin crossover in ultrathin films.

Alex Pronschinske;Yifeng Chen;Geoffrey F. Lewis;David A. Shultz

113
Citations
G-quartet biomolecular nanowires

A. Calzolari;R. Di Felice;E. Molinari;A. Garbesi

109
Citations
New energy with ZnS: novel applications for a standard transparent compound

Pino D'Amico;Arrigo Calzolari;Alice Ruini;Alessandra Catellani

108
Citations
Transparent Conductive Oxides as Near-IR Plasmonic Materials: The Case of Al-Doped ZnO Derivatives

Arrigo Calzolari;Alice Ruini;Alessandra Catellani

107
Citations
Plasmonic properties of refractory titanium nitride

Alessandra Catellani;Arrigo Calzolari

101
Citations
How To Identify Plasmons from the Optical Response of Nanostructures

Runmin Zhang;Luca Bursi;Joel D. Cox;Yao Cui

100
Citations
Water Adsorption on Nonpolar ZnO(101̅0) Surface: A Microscopic Understanding

Arrigo Calzolari;Alessandra Catellani

97
Citations
Effective and accurate representation of extended Bloch states on finite Hilbert spaces

Luis A. Agapito;Luis A. Agapito;Andrea Ferretti;Arrigo Calzolari;Stefano Curtarolo

95
Citations
AFLOWπ: A minimalist approach to high-throughput ab initio calculations including the generation of tight-binding hamiltonians

Andrew R. Supka;Troy E. Lyons;Laalitha Liyanage;Pino D’Amico

94
Citations
Iron(II) spin crossover films on Au(111): scanning probe microscopy and photoelectron spectroscopy

Alex Pronschinske;Robert C. Bruce;Geoff Lewis;Yifeng Chen

89
Citations
Spin and orbital configuration of metal phthalocyanine chains assembled on the Au(110) surface

Pierluigi Gargiani;Giorgio Rossi;Roberto Biagi;Valdis Corradini

87
Citations