Simona Ispas
67
Documents
Affiliations actuelles
- Laboratoire Charles Coulomb (L2C)
- Axe Physique Théorique (L2C) (PTH)
Identifiants chercheurs
Publications
Publications
Surface properties of alkali silicate glasses: insights from atomistic simulationsESG15 – NCM15 - SGT, Jul 2024, Cambridge, United Kingdom
Communication dans un congrès
hal-04860157
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Modélisation atomistique de liquides à haute températureJournée de prospective sur la physicochimie des liquides à haute température, Nov 2024, Paris, France
Communication dans un congrès
hal-04860177
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Dynamic fracture of alkali silicate glasses: insights from large scale atomistic simulationsMechGlass2024 USTVerre Thematic Day, Jan 2024, Paris, France
Communication dans un congrès
hal-04860173
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Evidence of percolation transitions in silica glass under pressure15th International Conference on the Structure of Non-Crystalline Materials., Jul 2024, Cambridge (Angleterre), United Kingdom
Communication dans un congrès
hal-04876552
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Exploring the atomic scale surface properties of alkali silicate glassesCECAM Bridging the Atomic-Mesoscale Gap for Complex Interfaces, Sep 2024, Montpellier, France
Communication dans un congrès
hal-04860165
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Influence of the alkali modifier on the surface properties of silicate glassesDGG-USTV JOINT ANNUAL MEETING, May 2023, Orléans, France
Communication dans un congrès
hal-04859718
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Electronic and vibrational properties of the surface of silica and sodium silicate glassesGOMD 2022, May 2022, Baltimore, United States
Communication dans un congrès
hal-04859503
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Vibrational signatures of the main structural units in silicate glasses: a first principles studyICG/GOMD 2019, Jun 2019, Boston (MA), United States
Communication dans un congrès
hal-04859413
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Dangling and stretching motions of network-modifier cations in silicate and borosilicate glasses.Confernce of the International Comission on Glass, Jun 2019, Boston (Massachusetts), United States
Communication dans un congrès
hal-04866339
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Insight into chemical bonding in oxide glasses from first principles calculationsICG/GOMD 2019, Jun 2019, Boston (MA), United States
Communication dans un congrès
hal-04859427
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Silica glass under pressure: a view from first principles calculations2018 Glass & Optical Materials Division Annual Meeting, May 2018, San Antonio, United States
Communication dans un congrès
hal-01938528
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Developing interaction potentials for modelling oxide glassesRéunion Plénière GDR ModMat 2018, Oct 2018, Paris, France
Communication dans un congrès
hal-01938424
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Developing interaction potentials for modelling oxide glasses15th International Conference on the Physics of Non-Crystalline Solids, Jul 2018, Saint-Malo, France
Communication dans un congrès
hal-01937541
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Fracture of sodium-silicate glasses: Insights from atomistic computer simulations15th International Conference on the Physics of Non-Crystalline Solids, Jul 2018, Saint Malo, France
Communication dans un congrès
hal-01938548
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The Structure of Sodo-silicate and Alumino-silicate Glasses Observed by Raman Scattering: Experiments and Numerical SimulationsInternational Congress on Glass Annual Meeting 2018 (ICG2018), Sep 2018, Yokohama, Japan
Communication dans un congrès
hal-01937944
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Ab initio modelling of multicomponent borosilicate glasses9th International Conference on BORATE GLASSES, CRYSTALS AND MELTS, Jul 2017, Oxford, United Kingdom
Communication dans un congrès
hal-01938518
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Ab-Initio modeling of vibrational spectra of silicate glasses and decomposition into principal structural components.Glass & Optical Material Division, Annual Meeting 2017 (GOMD), May 2017, Waikoloa - Hawaï, United States
Communication dans un congrès
hal-01937865
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Developing empirical potentials from ab initio simulations for modelling silicate glassesBridging the Scales in Glasses III, Feb 2017, Mainz, Germany
Communication dans un congrès
hal-01938497
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First principles calculation of Raman spectra: relationships between structure and vibrationsGlass and Optical Materials Division Annual Meeting 2016, May 2016, Madison, United States
Communication dans un congrès
hal-01938487
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First principles calculations of Raman spectra: relationships between structure and vibrationsInternational Conference on Advanced Materials Modelling, Sep 2016, Rennes, France
Communication dans un congrès
hal-01939472
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Raman spectra of binary sodo-silicate glasses from first principles calculationsEWinS 2016, EUSpec Winter School on Core Level Spectroscopies, Feb 2016, Ajdovscina, Slovenia
Communication dans un congrès
hal-01939466
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Deformation of sodium borosilicate glasses under load using Molecular Dynamics simulationsCECAM workshop, Chemical and Structural Transformations in Materials Under Mechanical Load, Sep 2015, Laussane, Switzerland
Communication dans un congrès
hal-01939439
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First-principles modelling of complex silicate glassesRéunion Plénière GDR ModMat, Jan 2015, Lyon, France
Communication dans un congrès
hal-01938419
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RAMAN SPECTRA OF SILICA AND BINARY SODO-SILICATE GLASSES FROM FIRST PRINCIPLES CALCULATIONS14th International Conference on the Physics of Non-Crystalline Solids, Sep 2015, Niagara Falls, United States
Communication dans un congrès
hal-01938467
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Apport de la modélisation atomistique pour la compréhension des propriétés des verres silicatésAtelier De l´atome au code industriel, GDR ModMat, Dec 2014, Marseille, France
Communication dans un congrès
hal-01938048
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Atomistic modelling of complex borosilicate glasses2nd International Workshop on Challenges of Atomistic Simulations of Glasses and Amorphous Materials, Jun 2014, Wuhan, China
Communication dans un congrès
hal-01938458
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First-principles calculation of Raman spectra of amorphous silica: effect of hydrostatic pressure on the vibrationsRéunion SIMADES VI, Nov 2014, Bagnols-sur-Cèze, France
Communication dans un congrès
hal-01937672
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A structural fitting approach to develop effective potentials from ab initio simulations of amorphous systemsWorkshop on Force Fields: From Atoms to Materials, Nov 2014, Juelich, Germany
Communication dans un congrès
hal-01139895
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First-principles modelling of silicate glasses: interplay between structural and vibrational propertiesAtelier Modélisation des Oxydes, GDR ModMat, Sep 2014, Paris, France
Communication dans un congrès
hal-01938034
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Simulations de dynamique moléculaire ab-initio et classique de verres silicatés (structure & vibrations)Journée thématique “Calcul Simulation", CEMTHI-CNRS; Orléans, Apr 2014, Orléans, France
Communication dans un congrès
hal-01139883
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On the arrangement of sodium atoms around structural units and vibrational properties of a sodium borosilicate glassGoldschmidt 2013, Aug 2013, Florence, Italy
Communication dans un congrès
hal-01241926
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2 nd International Summer School on Nuclear Glass Wasteform:2 nd International Summer School on Nuclear Glass Wasteform, Sep 2013, Pont-du-Gard, France
Communication dans un congrès
hal-01938444
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First principles simulations of borosilicate glasses: interplay structure, electronic and vibrational properties13ᵉ Journées de la Matière Condensée - JMC 13, Aug 2012, Montpellier, France
Communication dans un congrès
hal-00836155
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Structural, And Vibrational Properties Of Borosilicate Glasses From First Principles StudiesJournée 2011 du Pôle Ouest du Réseau Français de Chimie Théorique (RFCT), Jun 2011, NANTES, France
Communication dans un congrès
hal-00663461
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Plastic behaviour and polyamorphism in SiO2 glass: exploration of structural mechanismsUSTV-DGG joint meeting, May 2023, Orleans (France), France.
Poster de conférence
hal-04972379
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Raman spectra of simple sodo-silicate glasses from first principlesPsi-k conference, Sep 2015, San Sebastian, Spain
Poster de conférence
hal-01939454
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First-principles Simulations of Glass-formersPascal Richet; Reinhard Conradt; Akira Takada; Joel Dyon. Encyclopedia of Glass Science, Technology, History, and Culture, 2, Wiley, pp.233, 2021, 9781118801017. ⟨10.1002/9781118801017.ch2.9⟩
Chapitre d'ouvrage
hal-04857394
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