Ab Initio Study of the Raman Spectra of Amorphous Oxides: Insights into the Boson Peak Nature in Glassy TeO 2
Evgenii Roginskii
,
Raghvender Raghvender
,
Olivier Noguera
,
Philippe Thomas
,
Olivier Masson
,
et al.
Article dans une revue
hal-04267656v1
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Pressure-induced structural changes in the network-forming isostatic glass GeSe 4 : An investigation by neutron diffraction and first-principles molecular dynamics
Assil Bouzid
,
Keiron Pizzey
,
Anita Zeidler
,
Guido Ori
,
Mauro Boero
,
et al.
Article dans une revue
hal-02349375v1
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Chalcogenide glasses as a playground for the application of first-principles molecular dynamics to disordered materials
Guido Ori
,
Assil Bouzid
,
Évelyne Martin
,
Carlo Massobrio
,
Sébastien Le Roux
,
et al.
Article dans une revue
hal-02349474v1
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The structure of liquid GeSe revisited: A first principles molecular dynamics study
Sébastien Le Roux
,
Assil Bouzid
,
Mauro Boero
,
Carlo Massobrio
Article dans une revue
hal-02996112v1
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Structural properties of glassy Ge 2 Se 3 from first-principles molecular dynamics
Sébastien Le Roux
,
Assil Bouzid
,
Mauro Boero
,
Carlo Massobrio
Article dans une revue
hal-02996128v1
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First-principles study of amorphous Ga 4 Sb 6 Te 3 phase-change alloys
Assil Bouzid
,
Silvia Gabardi
,
Carlo Massobrio
,
Mauro Boero
,
Marco Bernasconi
Article dans une revue
hal-02991735v1
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On the occurrence of size effects in the calculation of thermal conductivity by first-principles molecular dynamics: The case of glassy GeTe4
Évelyne Martin
,
Pier Luca Palla
,
Fabrizio Cleri
,
Assil Bouzid
,
Guido Ori
,
et al.
Article dans une revue
hal-02128447v1
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The structure and dipolar properties of CO 2 adsorbed in a porous glassy chalcogel: Insights from first-principles molecular dynamics
Ziyad Chaker
,
Assil Bouzid
,
Benoit Coasne
,
Carlo Massobrio
,
Mauro Boero
,
et al.
Article dans une revue
hal-01898345v1
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Revisiting the Electrified Pt(111)/Water Interfaces through an Affordable Double-Reference Ab Initio Approach
Jack Jon Hinsch
,
Assil Bouzid
,
Jordan Clive Barker
,
Jessica Jein White
,
Fabien Mortier
,
et al.
Article dans une revue
hal-04267651v1
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Evaluating the Critical Roles of Precursor Nature and Water Content When Tailoring Magnetic Nanoparticles for Specific Applications
Geoffrey Cotin
,
Céline Kiefer
,
Francis Perton
,
Mauro Boero
,
Burak Özdamar
,
et al.
Article dans une revue
hal-02349404v1
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Atomic-scale structure of the glassy Ge 2 Sb 2 Te 5 phase change material: A quantitative assessment via first-principles molecular dynamics
Assil Bouzid
,
Guido Ori
,
Mauro Boero
,
Evelyne Lampin
,
Carlo Massobrio
Article dans une revue
hal-02349392v1
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Etude structurale de verres Teo2-mxOy oar diffusion totale des rayons X et dynamique moléculaire
Lyna Torzuoli
,
Olivier Masson
,
David Hamani
,
Assil Bouzid
MatV2L-num : MATV2L Méthodes numériques et simulation , Feb 2020, Limoges, France
Communication dans un congrès
hal-03117780v1
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Origin of structural analogies and differences between the atomic structures of GeSe 4 and GeS 4 glasses: A first principles study
Assil Bouzid
,
Sébastien Le Roux
,
Guido Ori
,
Mauro Boero
,
Carlo Massobrio
Article dans une revue
hal-02349319v1
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Impact of dispersion forces on the atomic structure of a prototypical network-forming disordered system: The case of liquid GeSe2
Évelyne Martin
,
Assil Bouzid
,
Guido Ori
,
Mauro Boero
,
Carlo Massobrio
Article dans une revue
hal-02349387v1
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First-Principles Modeling of Binary Chalcogenides: Recent Accomplishments and New Achievements
Assil Bouzid
,
Sébastien Le Roux
,
Guido Ori
,
Christine Tugène
,
Mauro Boero
,
et al.
Chapitre d'ouvrage
hal-02349370v1
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Unveiling the structure and ion dynamics of amorphous Na 3− x OH x Cl antiperovskite electrolytes by first-principles molecular dynamics
Tan-Lien Pham
,
Mohammed Guerboub
,
Assil Bouzid
,
Mauro Boero
,
Carlo Massobrio
,
et al.
Article dans une revue
hal-04281579v1
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Induced ferromagnetism on late transition metals adsorbed on Antimony Arsenide monolayer from First-Principles
Taoufik Sakhraoui
,
Assil Bouzid
Article dans une revue
hal-03428236v1
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Atomic-Scale Modelling of Electrochemical Interfaces through Constant Fermi Level Molecular Dynamics
Assil Bouzid
,
Alfredo Pasquarello
Ouvrages
hal-03428392v1
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Density-driven defect-mediated network collapse of GeSe 2 glass
Kamil Wezka
,
Assil Bouzid
,
Keiron J. Pizzey
,
Philip S. Salmon
,
Anita Zeidler
,
et al.
Article dans une revue
hal-01093430v1
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Thermal conductivity of glassy GeTe4 by first-principles molecular dynamics
Assil Bouzid
,
Hayat Zaoui
,
Pier Luca Palla
,
Guido Ori
,
Mauro Boero
,
et al.
Article dans une revue
hal-02349381v1
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First-principles investigation of binary and ternary amorphous chalcogenide systems
Assil Bouzid
Thèse
tel-01126908v1
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Structure of amorphous TeO 2 revisited: A hybrid functional ab initio molecular dynamics study
Raghvender Raghvender
,
Assil Bouzid
,
Sylvian Cadars
,
David Hamani
,
Philippe Thomas
,
et al.
Article dans une revue
hal-04267654v1
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Crystal chemistry of complex materials combining experimental and atomic scale modelling methods: tellurium oxide based glasses and metal oxide nanocrystals
Alex Lemarchand
,
Lyna Torzuoli
,
Jenny Jouin
,
Fabien Remondiere
,
David Hamani
,
et al.
14th International Conference on the Structure of Non-Crystalline Materials (NCM14) , Nov 2019, Kobe, Japan
Communication dans un congrès
hal-02383992v1
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Exploring Defects in Semiconductor Materials Through Constant Fermi Level Ab-Initio Molecular Dynamics
Assil Bouzid
,
Alfredo Pasquarello
Chapitre d'ouvrage
hal-03015503v1
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Defect Formation Energies of Interstitial C, Si, and Ge Impurities in β ‐Ga 2 O 3
Assil Bouzid
,
Alfredo Pasquarello
Article dans une revue
hal-02550874v1
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Short range order and network connectivity in amorphous AsTe3 : a first principles, machine learning, and XRD study
Gaëlle Delaizir
,
Andrea Piarristeguy
,
Annie Pradel
,
Olivier Masson
,
Assil Bouzid
Article dans une revue
hal-03001599v1
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Sensitivity to Dispersion Forces in First-Principles Modeling of Disordered Chalcogenides
Carlo Massobrio
,
Évelyne Martin
,
Ziyad Chaker
,
Mauro Boero
,
Assil Bouzid
,
et al.
Article dans une revue
hal-02312708v1
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Making Computer Materials Real: The Predictive Power of First-Principles Molecular Dynamics
Carlo Massobrio
,
Mauro Boero
,
Sébastien Le Roux
,
Guido Ori
,
Assil Bouzid
,
et al.
Levchenko E.V., Dappe Y.J., Ori G. (Eds).
Theory and Simulation in Physics for Materials Applications , 296 (chapitre 1), pp.3-21, 2020, ISBN 978-3-030-37789-2 ; e-ISBN 978-3-030-37790-8.
⟨10.1007/978-3-030-37790-8_1⟩
Chapitre d'ouvrage
hal-02551137v1
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Low temperature in situ immobilization of nanoscale fcc and hcp polymorphic nickel particles in polymer-derived Si–C–O–N(H) to promote electrocatalytic water oxidation in alkaline media
Roberta Karoline Morais Ferreira
,
Marwan Ben Miled
,
Rafael Kenji Nishihora
,
Nicolas Christophe
,
Pierre Carles
,
et al.
Article dans une revue
hal-04011928v1
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2023 Roadmap on molecular modelling of electrochemical energy materials
Chao Zhang
,
Jun Cheng
,
Yiming Chen
,
Maria Chan
,
Qiong Cai
,
et al.
Article dans une revue
hal-04267648v1
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