Yves Noel Maître de conférence

Identifiants chercheurs

IdHAL :

yvesnoel

ORCID :

0000-0001-8750-4823

IdRef :

06951979X

ResearcherID :

http://www.researcherid.com/rid/B-8494-2009

Publications

Article dans une revue (30)

Partitioning of chromium between garnet and clinopyroxene: first-principle modelling versus metamorphic assemblages Sarah Figowy,Benoît Dubacq,Yves Noel,Philippe d'Arco European Journal of Mineralogy, 2020, 32 (4), pp.387 - 403. ⟨10.5194/ejm-32-387-2020⟩ Article dans une revue hal-02933444v1
The CRYSTAL code, 1976–2020 and beyond, a long story Roberto Dovesi,Fabien Pascale,Bartolomeo Civalleri,Klaus Doll,Nicholas Harrisonet al. The Journal of Chemical Physics, 2020, 152 (20), pp.204111. ⟨10.1063/5.0004892⟩ Article dans une revue hal-02635009v1
Scalars, vectors and tensors evolving from slabs to bulk Michel Rérat,Fabien Pascale,Yves Noel,Philippe Carbonnière,Roberto Dovesi Theoretical Chemistry Accounts: Theory, Computation, and Modeling, 2018, 137 (11), ⟨10.1007/s00214-018-2360-7⟩ Article dans une revue hal-01913060v1
The A-center defect in diamond: quantum mechanical characterization through the infrared spectrum Simone Salustro,Giuseppe Sansone,Claudio Zicovich-Wilson,Yves Noel,Lorenzo Maschioet al. Physical Chemistry Chemical Physics, 2017, 19, pp.14478--14485. ⟨10.1039/c7cp00093f⟩ Article dans une revue hal-01591284v1
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 S Salustro,R. Dovesi,Yves Noel,C M Zicovich-Wilson,P Olivero The Journal of Chemical Physics, 2016, 145, pp.184701 - 184701. ⟨10.1063/1.4966635⟩ Article dans une revue hal-01398339v1
Infrared and Raman spectroscopic features of the self-interstitial defect in diamond from exact-exchange hybrid DFT calculations Simone Salustro,Alessandro Erba,Claudio Zicovich-Wilson,Yves Noël,Lorenzo Maschioet al. Physical Chemistry Chemical Physics, 2016, 18, pp.21288-21295. ⟨10.1039/C6CP02403C⟩ Article dans une revue hal-01404012v1
Structural, electronic and energetic properties of giant icosahedral fullerenes up to C6000: insights from an ab initio hybrid DFT study Yves Noël,Marco de La Pierre,Claudio Zicovich-Wilson,Roberto Orlando,Roberto Dovesi Physical Chemistry Chemical Physics, 2014, 16 (26), pp.13390-13401. ⟨10.1039/c4cp01442a⟩ Article dans une revue hal-01404067v1
CRYSTAL 14: A program for the ab initio investigation of crystalline solids Roberto Dovesi,Roberto Orlando,Alessandro Erba,Claudio Zicovich-Wilson,Bartolomeo Civalleriet al. International Journal of Quantum Chemistry, 2014, 114 (19), pp.1287-1317 ⟨10.1002/qua.24658⟩ Article dans une revue hal-01404047v1
Zinc oxide nanotubes: An ab initio investigation of their structural, vibrational, elastic, and dielectric properties Valentina Lacivita,A. Erba,Yves Noel,R. Orlando,Philippe d'Arcoet al. The Journal of Chemical Physics, 2013, 138, pp.1-9. ⟨10.1063/1.4808156⟩ Article dans une revue hal-00863756v1
Symmetry and random sampling of symmetry independent configurations for the simulation of disordered solids Philippe d'Arco,Sami Mustapha,Matteo Ferrabone,Yves Noel,Marco de La Pierreet al. Journal of Physics: Condensed Matter, 2013, 25 (35), pp.1-13. ⟨10.1088/0953-8984/25/35/355401⟩ Article dans une revue hal-01459480v1
On the use of symmetry in configurational analysis for the simulation of disordered solids Sami Mustapha,Philippe d'Arco,Marco de La Pierre,Yves Noel,Matteo Ferraboneet al. Journal of Physics: Condensed Matter, 2013, 25, pp.105401. ⟨10.1088/0953-8984/25/10/105401⟩ Article dans une revue hal-00788359v1
The infrared vibrational spectrum of andradite-grossular solid solutions: A quantum mechanical simulation Marco de La Pierre,Yves Noel,Sami Mustapha,Alessio Meyer,Philippe d'Arcoet al. The American Mineralogist, 2013, 98, pp.966-976. ⟨10.2138/am.2013.4156⟩ Article dans une revue hal-01459202v1
The infrared spectrum of ortho-enstatite from reflectance experiments and first-principle simulations Raffaella Demichelis,H. Suto,Yves Noel,H. Sogawa,T. Naoiet al. Monthly Notices of the Royal Astronomical Society, 2012, 420, pp.147-154. ⟨10.1111/j.1365-2966.2011.20018.x⟩ Article dans une revue hal-00687881v1
On the use of symmetry in SCF caclulations. The case of fullerenes and nanotubes C M Zicovich-Wilson,Yves Noel,A.M. Ferrari,R. Orlando,M. de La Pierreet al. AIP Conference Proceedings, 2012, 1456, pp.248-255. ⟨10.1063/1.4730666⟩ Article dans une revue hal-01472146v1
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 Yves Noël,M. Delapierre,L. Maschio,Michel Rérat,C.M. Zicivichi-Wilsonet al. International Journal of Quantum Chemistry, 2012, 112 (9), pp.2098-2108. ⟨10.1002/qua.23195⟩ Article dans une revue hal-00687882v1
Physico-Chemical Features of Aluminum Hydroxides As Modeled with the Hybrid B3LYP Functional and Localized Basis Functions Raffaella Demichelis,Yves Noel,Piero Ugliengo,Claudio Zicovich-Wilson,Roberto Dovesi Journal of Physical Chemistry C, 2011, 115 (27), pp.13107-13134. ⟨10.1021/jp200523x⟩ Article dans une revue hal-00650732v1
Properties of Carbon Nanotubes: An ab Initio Study Using Large Gaussian Basis Sets and Various DFT Functionals Raffaella Demichelis,Yves Noel,Philippe d'Arco,Michel Rérat,Claudio Zicovich-Wilsonet al. Journal of Physical Chemistry C, 2011, 115 (18), pp.8876-8885. ⟨10.1021/jp110704x⟩ Article dans une revue hal-00650759v1
DFT modeling of anatase nanotubes Anna Maria Ferrari,Dénes Szieberth,Yves Noel Journal of Materials Chemistry, 2011, 21 (12), pp.4568-4580. ⟨10.1039/c0jm03257c⟩ Article dans une revue hal-00650769v1
Ab initio modeling of TiO(2) nanotubes D. Szieberth,Anthony Ferrari,Yves Noel,M. Ferrabone Nanos cale, 2010, 2, pp.81-89 Article dans une revue hal-00687898v1
On the Use of Symmetry in the Ab Initio Quantum Mechanical Simulation of Nanotubes and Related Materials Yves Noel,Philippe d'Arco,Raffaella Demichelis,Roberto Dovesi,Claudio Zicovich-Wilson Journal of Computational Chemistry, 2010, 31 (4), pp.855-862. ⟨10.1002/jcc.21370⟩ Article dans une revue istex hal-00639974v1
Ab initio modeling of TiO&lt;SUB&gt;2&lt;/SUB&gt; nanotubes Dénes Szieberth,Anna Maria Ferrari,Yves Noel,Matteo Ferrabone Nanoscale, 2010, 2, pp.81-89. ⟨10.1039/b9nr00214f⟩ Article dans une revue istex hal-04114992v1
Structure and energetics of imogolite: a quantum mechanical ab initio study with B3LYP hybrid functional. Raffaella Demichelis,Yves Noel,Philippe d'Arco,L. Maschio,R. Orlandoet al. Journal of Materials Chemistry, 2010, 20, pp.10417-10425 Article dans une revue hal-00687894v1
Single-layered chrysotile nanotubes: A quantum mechanical ab initio simulation Philippe d'Arco,Yves Noel,Raffaella Demichelis,Roberto Dovesi The Journal of Chemical Physics, 2009, 131 (20), pp.204701-204701. ⟨10.1063/1.3251791⟩ Article dans une revue hal-04114993v1
Thermophysical properties of the a-b-g polymorphs of Mg2SiO4 : a computional study G. Ottonello,B. Civalleri,J. Ganguly,M. Vetuschi Zuccolini,Yves Noel Phys Chem Minerals, 2009, 36 (2), pp.87-10. ⟨10.1007/s00269-008-0260-4⟩ Article dans une revue istex hal-00442109v1
Ab initio quantum mechanical study of γ-AlOOH boehmite: structure and vibrational spectrum Yves Noel,Raffaella Demichelis,Fabien Pascale,Piero Ugliengo,Roberto Orlandoet al. Physics and Chemistry of Minerals, 2009, 36 (1), pp.47 - 59. ⟨10.1007/s00269-008-0257-z⟩ Article dans une revue istex hal-01891672v1
The vibrational spectrum of lizardite-1T Mg3Si2O5(OH)4 at the F point : A contribution from an ab initio periodic B3LYP calculation M. Prencipe,Yves Noel,M. Bruno,R. Dovesi The American Mineralogist, 2009, 94, pp.986-994. ⟨10.2138/am.2009.3127⟩ Article dans une revue hal-00438684v1
Structure and stability of aluminium trihydroxides bayerite and gibbsite: A quantum mechanical ab initio study with the CRYSTAL06 code Raffaella Demichelis,Bartolomeo Civalleri,Yves Noel,Alessio Mayer,Roberto Dovesi Chemical Physics Letters, 2008, 465 (4-6), pp.220-225. ⟨10.1016/j.cplett.2008.09.070⟩ Article dans une revue hal-00692397v1
Ab initio vibrational spectra and dielectric properties of carbonates: magnesite, calcite and dololomite L. Valenzano,Yves Noel,R. Orlando,C. Zicovich-Wilson,M. Ferreroet al. Theoretical Chemistry Accounts: Theory, Computation, and Modeling, 2007, 117, pp.991-1000. ⟨10.10007/s00214-006-0213-2⟩ Article dans une revue hal-00692446v1
Ab initio vibrational spectra and dielectric properties of carbonates: magnesite, calcite and dolomite L. Valenzano,Yves Noel,R. Orlando,C. Zicovich-Wilson,M. Ferreroet al. Theoretical Chemistry Accounts: Theory, Computation, and Modeling, 2007, 117 (5-6), pp.991-1000. ⟨10.1007/s00214-006-0213-2⟩ Article dans une revue istex hal-00694002v1
The vibrational spectrum of alpha-A1OOH Diaspore : An Ab Initio Study with the CRYSTAL Code Raffaella Demichelis,Yves Noel,B. Civalleri,C. Roetti,M. Ferreroet al. Journal of Physical Chemistry B, 2007, 111, pp.9337-9346 Article dans une revue hal-00692458v1

Communication dans un congrès (4)

Combining Qualitative and Quantitative Insights Within a Python Programming Blended Course Daniela Rotelli,Yves Noël,Paola Costa Cornejo Artificial Intelligence with and for Learning Sciences. Past, Present, and Future Horizons, Dec 2025, Cagliari, Italy. pp.60-74, ⟨10.1007/978-3-032-17604-2_7⟩ Communication dans un congrès hal-05512421v1
Automated Enrichment of Course Structure into Moodle logs: The Contribution of Context-Aware Structural Information to Advance Learning Analytics Daniela Rotelli,Yves Noël,Sébastien Lallé,Vanda Luengo LAK 2026: LAK26: 16th International Learning Analytics and Knowledge Conference, Apr 2026, Bergen, Norway. pp.598-609, ⟨10.1145/3785022.3785119⟩ Communication dans un congrès hal-05602744v1
A Moodle Plugin for Rich xAPI Data Logging Daniela Rotelli,Yves Noël,Sébastien Lallé,Vanda Luengo,David Pesce 18th European Conference on Technology Enhanced Learning (ECTEL 2023), Sep 2023, Aveiro, Portugal. pp.748-754, ⟨10.1007/978-3-031-42682-7_72⟩ Communication dans un congrès hal-04194642v2
Towards a modular and flexible Learning Analytics framework Yves Noel,François Bouchet,Roland Mergoil,Vanda Luengo Learning Analytics and Knowledge 2020, SOLAR, Mar 2020, Frankfurt, Germany. pp.178-179 Communication dans un congrès hal-03005330v1