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Y. Noël · SciRah

Researcher profile · Semantic Scholar

Y. Noël

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Y. Noël — researcher profile on SciRah

h-index: 20
Works: 48
Citations: 2,827

Most-cited papers

CRYSTAL14: A program for the ab initio investigation of crystalline solids
R. Dovesi, R. Orlando, A. Erba, C. Zicovich-Wilson +10 more
20141,209 citations Open access
Semantic Scholar
Polarization properties of ZnO and BeO: An ab initio study through the Berry phase and Wannier functions approaches
Y. Noël, C. Zicovich-Wilson, B. Civalleri, P. D'arco +1 more
2001207 citations
Semantic Scholar
Full piezoelectric tensors of wurtzite and zinc blende ZnO and ZnS by first-principles calculations
M. Catti, Y. Noël, R. Dovesi
2003205 citations
Semantic Scholar
The CRYSTAL code, 1976-2020 and beyond, a long story.
R. Dovesi, F. Pascale, B. Civalleri, K. Doll +16 more
2020Journal of Chemical Physics169 citations Open access
Semantic Scholar
Ab-initio prediction of materials properties with CRYSTAL: MOF-5 as a case study
B. Civalleri, Francesco Napoli, Y. Noël, C. Roetti +1 more
2006168 citations
Semantic Scholar
Ab initio vibrational spectra and dielectric properties of carbonates: magnesite, calcite and dolomite
L. Valenzano, Y. Noël, R. Orlando, C. Zicovich-Wilson +2 more
2007115 citations
Semantic Scholar
The vibrational spectrum of alpha-AlOOH diaspore: an ab initio study with the CRYSTAL code.
R. Demichelis, Y. Noël, B. Civalleri, C. Roetti +2 more
2007Journal of Physical Chemistry B67 citations
Semantic Scholar
On the use of symmetry in configurational analysis for the simulation of disordered solids
S. Mustapha, P. D'arco, M. De La Pierre, Y. Noël +2 more
2013Journal of Physics: Condensed Matter55 citations Open access
Semantic Scholar
Structure and stability of aluminium trihydroxides bayerite and gibbsite: A quantum mechanical ab initio study with the Crystal06 code
R. Demichelis, B. Civalleri, Y. Noël, A. Meyer +1 more
200854 citations Open access
Semantic Scholar
Physico-Chemical Features of Aluminum Hydroxides As Modeled with the Hybrid B3LYP Functional and Localized Basis Functions
R. Demichelis, Y. Noël, P. Ugliengo, C. Zicovich-Wilson +1 more
201150 citations
Semantic Scholar
Properties of Carbon Nanotubes: An ab Initio Study Using Large Gaussian Basis Sets and Various DFT Functionals
R. Demichelis, Y. Noël, P. D'arco, M. Rérat +2 more
201144 citations
Semantic Scholar
Structure and energetics of imogolite: a quantum mechanical ab initio study with B3LYP hybrid functional
R. Demichelis, Y. Noël, P. D'arco, L. Maschio +2 more
201043 citations
Semantic Scholar
Performance of various Hamiltonians in the study of the piezoelectric properties of crystalline compounds: The case of BeO and ZnO
Y. Noël, Miquel Llunell, R. Orlando, P. D'arco +1 more
200238 citations
Semantic Scholar
Zinc oxide nanotubes: an ab initio investigation of their structural, vibrational, elastic, and dielectric properties.
V. Lacivita, A. Erba, Y. Noël, R. Orlando +2 more
2013Journal of Chemical Physics37 citations
Semantic Scholar
Symmetry and random sampling of symmetry independent configurations for the simulation of disordered solids
P. D'arco, S. Mustapha, M. Ferrabone, Y. Noël +2 more
2013Journal of Physics: Condensed Matter36 citations Open access
Semantic Scholar
A method for a financially efficient design of cell-based flotation circuits
G. Schena, J. Villeneuve, Y. Noël
199636 citations
Semantic Scholar
Infrared and Raman spectroscopic features of the self-interstitial defect in diamond from exact-exchange hybrid DFT calculations.
Simone Salustro, A. Erba, C. Zicovich-Wilson, Y. Noël +2 more
2016Physical Chemistry, Chemical Physics - PCCP30 citations Open access
Semantic Scholar
The infrared spectrum of ortho-enstatite from reflectance experiments and first-principle simulations
R. Demichelis, H. Suto, Y. Noël, H. Sogawa +6 more
201228 citations Open access
Semantic Scholar
Structural, electronic and energetic properties of giant icosahedral fullerenes up to C6000: insights from an ab initio hybrid DFT study.
Y. Noël, M. De La Pierre, C. Zicovich-Wilson, R. Orlando +1 more
2014Physical Chemistry, Chemical Physics - PCCP27 citations Open access
Semantic Scholar
DFT modeling of anatase nanotubes
A. Ferrari, D. Szieberth, Y. Noël
201126 citations
Semantic Scholar
The A-center defect in diamond: quantum mechanical characterization through the infrared spectrum.
Simone Salustro, G. Sansone, C. Zicovich-Wilson, Y. Noël +2 more
2017Physical Chemistry, Chemical Physics - PCCP19 citations
Semantic Scholar
Electronic Structure, Dielectric Properties and Infrared Vibrational Spectrum of Fayalite: An Ab Initio Simulation With an All-Electron Gaussian Basis Set and the B3LYP Functional
Y. Noël, M. De La Pierre, L. Maschio, M. Rérat +2 more
201219 citations Open access
Semantic Scholar
Ab-initio quantum mechanical study of akdalaite (5Al 2 O 3 · H 2 O): structure and vibrational spectrum
R. Demichelis, Y. Noël, C. Zicovich-Wilson, C. Roetti +2 more
200817 citations Open access
Semantic Scholar
Structural, electronic, and vibrational properties of solid Sr(OH)2, calculated with different Hamiltonians
M. Mérawa, B. Civalleri, P. Ugliengo, Y. Noël +1 more
200316 citations
Semantic Scholar
The V + I defects in diamond: An ab initio investigation of the electronic structure, of the Raman and IR spectra, and of their possible recombination.
Simone Salustro, Y. Noël, C. Zicovich-Wilson, P. Olivero +1 more
2016Journal of Chemical Physics15 citations Open access
Semantic Scholar
The infrared vibrational spectrum of andradite-grossular solid solutions: A quantum mechanical simulation
M. De La Pierre, Y. Noël, S. Mustapha, A. Meyer +2 more
201315 citations Open access
Semantic Scholar
Ab Initio Calculation of Piezoelectric and Ferroelectric Properties of NaNO2
Y. Noël, M. Catti, R. Dovesi
200415 citations
Semantic Scholar
Raman and infrared vibrational frequencies and elastic properties of solid BaFCl calculated with various Hamiltonians: an ab initio study
M. Mérawa, Y. Noël, B. Civalleri, Ross Brown +1 more
200514 citations
Semantic Scholar
Looking for $$sp^2$$sp2 carbon atoms in diamond: a quantum mechanical study of interacting vacancies
G. Sansone, Simone Salustro, Y. Noël, L. Maschio +2 more
2018Theoretical Chemistry accounts12 citations Open access
Semantic Scholar
On the use of symmetry in SCF calculations. The case of fullerenes and nanotubes
C. Zicovich-Wilson, Y. Noël, A. Ferrari, R. Orlando +2 more
201210 citations
Semantic Scholar
Theoretical study of sodium nitrite piezoelectricity and elasticity
M. Catti, Y. Noël, R. Dovesi
200510 citations Open access
Semantic Scholar
Application of Aquifer Thermal Energy Storage for heating and cooling of greenhouses in France: a pre-feasibility study.
N. Courtois, A. Grisey, D. Grasselly, A. Menjoz +3 more
20079 citations
Semantic Scholar
Partitioning of chromium between garnet and clinopyroxene: first-principle modelling versus metamorphic assemblages
Sarah Figowy, B. Dubacq, Y. Noël, P. D'arco
20207 citations Open access
Semantic Scholar
A Moodle Plugin for Rich xAPI Data Logging
D. Rotelli, Y. Noël, Sébastien Lallé, Vanda Luengo +1 more
2023European Conference on Technology Enhanced Learning5 citations Open access
Semantic Scholar
Scalars, vectors and tensors evolving from slabs to bulk
M. Rérat, F. Pascale, Y. Noël, P. Carbonnière +1 more
2018Theoretical Chemistry accounts4 citations Open access
Semantic Scholar
Structure and Vibrational spectra
R. Dovesi, A. Ferrari, M. De La Pierre, R. Orlando +1 more
20134 citations
Semantic Scholar
Ab-initio quantum mechanical study of akdalaite (5Al2O3*H2O): Structure and vibrational spectrum, Locality: Theoretical structure
R. Demichelis, Y. Noël, M. Zicovich-WilsonC, C. Roetti +2 more
20081 citations
Semantic Scholar
Automated Enrichment of Course Structure into Moodle logs: The Contribution of Context-Aware Structural Information to Advance Learning Analytics
D. Rotelli, Y. Noël, Sébastien Lallé, Vanda Luengo
2026International Conference on Learning Analytics and Knowledge0 citations Open access
Semantic Scholar
Combining Qualitative and Quantitative Insights Within a Python Programming Blended Course
D. Rotelli, Y. Noël, P. Cornejo
2025WAILS0 citations
Semantic Scholar
First-principle partitioning and disequilibrium of chromium in garnet – clinopyroxene assemblage
B. Dubacq, Sarah Figowy, Y. Noël, P. D'arco
20200 citations Open access
Semantic Scholar
Partitioning of halogens (F, Cl, Br, I) between hydrated silicates: analysis and first principles modelling
Sarah Figowy, B. Dubacq, P. D'arco, B. Villemant +2 more
20200 citations Open access
Semantic Scholar
Bedrijfswereld
Y. Noël, C. Joris
2020Dialogen over België0 citations
Semantic Scholar
Alternative Thermische Verfahren
P. Quicker, Y. Noël
20150 citations
Semantic Scholar
Abgasemissionen von kleintechnischen Holzvergasungsanlagen – Stand der Technik
M. Zeymer, Y. Noël, R. Schneider
20150 citations
Semantic Scholar
REVISION 2 1 The infrared vibrational spectrum of andradite-grossular solid 2 solutions . A quantum-mechanical simulation
M. De La Pierre, Y. Noël, S. Mustapha, A. Meyer +3 more
20120 citations
Semantic Scholar
The infrared spectrum of orthoenstatite from reflectance experiments and firstprinciple simulations
R. Demichelis, H. Suto, Y. Noël, H. Sogawa +6 more
20110 citations
Semantic Scholar
COMMISSION OF THE EUROPEAN COMMUNITIES DIRECTORATE OF SCIENCE AND DEVELOPMENT CEC Contract No. BRE2-CT92-0301
G. Schena, J. Villeneuve, Y. Noël
20070 citations
Semantic Scholar
Modélisation ab initio périodique de quelques défauts azotés du diamant : contribution au code CRYSTAL
Y. Noël
20010 citations
Semantic Scholar

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P. D'arco×13
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C. Zicovich-Wilson×12
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