Alessandro Erba

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Coauteurs

Silvia Maria CasassaUniversity of TurinAdresse e-mail validée de unito.it
Bartolomeo CivalleriUniversity of Torino - Department of ChemistryAdresse e-mail validée de unito.it
Lorenzo MaschioUniversità di TorinoAdresse e-mail validée de unito.it
C* M* Zicovich*Professor of physics, Autonomous U. of Morelos StateAdresse e-mail validée de uaem.mx
Jacques Kontak DesmaraisUniversity of TurinAdresse e-mail validée de unito.it
Jacopo BaimaPostdoctoral researcher, CEA Saclay, ParisAdresse e-mail validée de insp.upmc.fr
Jefferson MaulTheoretical Chemistry Group, Department of Chemistry, University of Torino (Italy)Adresse e-mail validée de quimica.ufpb.br
Simone SalustroUniversità degli Studi di TorinoAdresse e-mail validée de unito.it
Matteo FerrabonePost Doc, Università degli Studi di TorinoAdresse e-mail validée de unito.it
Yves NoëlInstitut des Sciences de la Terre de Paris - ISTeP ; Sorbonne UniversiteAdresse e-mail validée de sorbonne-universite.fr
Fabien PASCALEUniversité de Lorraine, CNRS - LEMTAAdresse e-mail validée de univ-lorraine.fr
Marco De La PierreCurtin UniversityAdresse e-mail validée de curtin.edu.au
Klaus DollAdresse e-mail validée de theochem.uni-stuttgart.de
Nicholas HarrisonImperial College LondonAdresse e-mail validée de imperial.ac.uk
Michael T. RuggieroAssociate Professor of Chemistry, University of RochesterAdresse e-mail validée de rochester.edu
Khaled E. El-KelanyKafrelsheikh universityAdresse e-mail validée de nano.kfs.edu.eg
Alessandro CossardPostdoctoral Researcher | Data Scientist | Crystal Engineer, Department of Chemistry, TurinAdresse e-mail validée de unito.it
Valentina LacivitaSamsung Semiconductor, Inc.Adresse e-mail validée de samsung.com
Filippo BodoUniverità degli Studi di TorinoAdresse e-mail validée de unito.it
Axel ZeitlerProfessor of Microstructure Engineering, University of CambridgeAdresse e-mail validée de cam.ac.uk

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Alessandro Erba

Associate Professor, Theoretical Chemistry Group, Department of Chemistry, University of Torino

Adresse e-mail validée de unito.it - Page d'accueil

computational material science first principles calculations condensed matter physics software development


Titre Trier par citations Trier par année Trier par titre	Citée par Citée par	Année
Quantum‐mechanical condensed matter simulations with CRYSTAL R Dovesi, A Erba, R Orlando, CM Zicovich‐Wilson, B Civalleri, L Maschio, ... Wiley Interdisciplinary Reviews: Computational Molecular Science 8 (4), e1360, 2018	1857*	2018
CRYSTAL14: A program for the ab initio investigation of crystalline solids R Dovesi, R Orlando, A Erba, CM Zicovich‐Wilson, B Civalleri, S Casassa, ... International Journal of Quantum Chemistry 114 (19), 1287-1317, 2014	1508	2014
CRYSTAL14 user’s manual R Dovesi, VR Saunders, C Roetti, R Orlando, CM Zicovich-Wilson, ... University of Torino, Torino 265, 2014	1148	2014
Large-scale condensed matter DFT simulations: performance and capabilities of the CRYSTAL code A Erba, J Baima, I Bush, R Orlando, R Dovesi Journal of chemical theory and computation 13 (10), 5019-5027, 2017	176	2017
C ryscor: a program for the post-Hartree–Fock treatment of periodic systems C Pisani, M Schütz, S Casassa, D Usvyat, L Maschio, M Lorenz, A Erba Physical Chemistry Chemical Physics 14 (21), 7615-7628, 2012	171	2012
University of Torino R Dovesi, VR Saunders, C Roetti, R Orlando, CM Zicovich-Wilson, ... Torino (Italy), 2009	159	2009
CRYSTAL23: A program for computational solid state physics and chemistry A Erba, JK Desmarais, S Casassa, B Civalleri, L Donà, IJ Bush, B Searle, ... Journal of Chemical Theory and Computation 19 (20), 6891-6932, 2022	158	2022
The vibrational spectrum of CaCO3 aragonite: A combined experimental and quantum-mechanical investigation C Carteret, M De La Pierre, M Dossot, F Pascale, A Erba, R Dovesi The Journal of chemical physics 138 (1), 2013	127	2013
Elastic properties of six silicate garnet end members from accurate ab initio simulations A Erba, A Mahmoud, R Orlando, R Dovesi Physics and Chemistry of Minerals 41, 151-160, 2014	124	2014
Piezoelectricity of SrTiO: An ab initio description A Erba, KE El-Kelany, M Ferrero, I Baraille, M Rérat Physical Review B—Condensed Matter and Materials Physics 88 (3), 035102, 2013	116	2013
Quantum mechanical predictions to elucidate the anisotropic elastic properties of zeolitic imidazolate frameworks: ZIF-4 vs. ZIF-zni JC Tan, B Civalleri, A Erba, E Albanese CrystEngComm 17 (2), 375-382, 2015	109	2015
On how differently the quasi-harmonic approximation works for two isostructural crystals: Thermal properties of periclase and lime A Erba, M Shahrokhi, R Moradian, R Dovesi The Journal of chemical physics 142 (4), 2015	98	2015
High pressure elastic properties of minerals from ab initio simulations: The case of pyrope, grossular and andradite silicate garnets A Erba, A Mahmoud, D Belmonte, R Dovesi The Journal of chemical physics 140 (12), 2014	90	2014
On combining temperature and pressure effects on structural properties of crystals with standard ab initio techniques A Erba The Journal of Chemical Physics 141 (12), 2014	89	2014
Beryllium oxide nanotubes and their connection to the flat monolayer J Baima, A Erba, M Rérat, R Orlando, R Dovesi The Journal of Physical Chemistry C 117 (24), 12864-12872, 2013	85	2013
Low-temperature phase of BaTiO: Piezoelectric, dielectric, elastic, and photoelastic properties from ab initio simulations A Mahmoud, A Erba, KE El-Kelany, M Rérat, R Orlando Physical Review B 89 (4), 045103, 2014	84	2014
Accurate dynamical structure factors from ab initio lattice dynamics: The case of crystalline silicon A Erba, M Ferrabone, R Orlando, R Dovesi Journal of computational chemistry 34 (5), 346-354, 2013	80	2013
Thermal properties of molecular crystals through dispersion-corrected quasi-harmonic ab initio calculations: the case of urea A Erba, J Maul, B Civalleri Chemical Communications 52 (9), 1820-1823, 2016	79	2016
Intermolecular anharmonicity in molecular crystals: interplay between experimental low-frequency dynamics and quantum quasi-harmonic simulations of solid purine MT Ruggiero, JA Zeitler, A Erba Chemical communications 53 (26), 3781-3784, 2017	76	2017
Photoelasticity of crystals from theoretical simulations A Erba, R Dovesi Physical Review B—Condensed Matter and Materials Physics 88 (4), 045121, 2013	75	2013

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