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Daniele Fontanari

Ingénieur de recherche Expert en calcul scientifique
92%
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12
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  • 244361
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Compétences

molecular modelling hpc computing programming machine learning

Publications

"maria-bokova"
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Atomic Structure and Dynamics of Unusual and Wide‐Gap Phase‐Change Chalcogenides: A GeTe 2 Case

Takeshi Usuki , Chris Benmore , Andrey Tverjanovich , Sergei Bereznev , Maxim Khomenko
physica status solidi (RRL) - Rapid Research Letters, 2024, pp.2300482. ⟨10.1002/pssr.202300482⟩
Article dans une revue hal-04443961v1
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Raman spectroscopy and DFT modelling of Tl2S-GeS2 crystals and glasses

M. Bokova , A. Paraskiva , Daniele Fontanari , A. Cuisset , M. Kassem
Journal of Non-Crystalline Solids, 2023, 601, pp.122055. ⟨10.1016/j.jnoncrysol.2022.122055⟩
Article dans une revue hal-04217111v1
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Decoding the Atomic Structure of Ga2Te5 Pulsed Laser Deposition Films for Memory Applications Using Diffraction and First-Principles Simulations

Andrey Tverjanovich , Chris Benmore , Maxim Khomenko , Anton Sokolov , Daniele Fontanari
Nanomaterials, 2023, 13 (14), pp.2137. ⟨10.3390/nano13142137⟩
Article dans une revue hal-04217020v1
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Glassy and liquid Sb2S3 : insight into the structure and dynamics of a promising functional material

Mohammad Kassem , Chris Benmore , Andrey Tverjanovich , Takeshi Usuki , Maxim Khomenko
Journal of Materials Chemistry C, 2023, 11 (14), pp.4654-4673. ⟨10.1039/D3TC00081H⟩
Article dans une revue hal-04124971v1
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Unexpected role of metal halides in a chalcogenide glass network

Rayan Zaiter , Mohammad Kassem , Daniele Fontanari , Anton Sokolov , Takeshi Usuki
Materials & Design, 2022, 216, pp.110547. ⟨10.1016/j.matdes.2022.110547⟩
Article dans une revue hal-03710415v1
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Chemically-invariant percolation in silver thioarsenate glasses and two ion-transport regimes over 5 orders of magnitude in Ag content

Rayan Zaiter , Mohammad Kassem , Daniele Fontanari , Maria Bokova , Fabrice Cousin
Journal of Non-Crystalline Solids, 2022, 584, pp.121513. ⟨10.1016/j.jnoncrysol.2022.121513⟩
Article dans une revue hal-04217169v1
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Deciphering Fast Ion Transport in Glasses: A Case Study of Sodium and Silver Vitreous Sulfides

Mohammad Kassem , Tinehinane Bounazef , Anton Sokolov , Maria Bokova , Daniele Fontanari
Inorganic Chemistry, 2022, 61 (32), pp.12870-12885. ⟨10.1021/acs.inorgchem.2c02142⟩
Article dans une revue hal-04217125v1
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Unraveling the Atomic Structure of Bulk Binary Ga–Te Glasses with Surprising Nanotectonic Features for Phase-Change Memory Applications

Maria Bokova , Andrey Tverjanovich , Chris J Benmore , Daniele Fontanari , Anton Sokolov
ACS Applied Materials & Interfaces, 2021, 13 (31), pp.37363 - 37379. ⟨10.1021/acsami.1c09070⟩
Article dans une revue hal-04217817v1
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Bulk Glassy GeTe2 : A Missing Member of the Tetrahedral GeX2 Family and a Precursor for the Next Generation of Phase-Change Materials

Andrey Tverjanovich , Maxim Khomenko , Chris Benmore , Maria Bokova , Anton Sokolov
Chemistry of Materials, 2021, 33 (3), pp.1031-1045. ⟨10.1021/acs.chemmater.0c04409⟩
Article dans une revue hal-04210136v1
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Chemical and Structural Variety in Sodium Thioarsenate Glasses Studied by Neutron Diffraction and Supported by First-Principles Simulations

Mohammad Kassem , Tinehinane Bounazef , Daniele Fontanari , Anton Sokolov , Maria Bokova
Inorganic Chemistry, 2020, 59 (22), pp.16410-16420. ⟨10.1021/acs.inorgchem.0c02220⟩
Article dans une revue hal-04217970v1
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Bent HgI2 Molecules in the Melt and Sulfide Glasses: Implications for Nonlinear Optics

Mohammad Kassem , Maria Bokova , Andrey S. Tverjanovich , Daniele Fontanari , David Le Coq
Chemistry of Materials, 2019, 31 (11), pp.4103-4112. ⟨10.1021/acs.chemmater.9b00860⟩
Article dans une revue hal-02177797v1

Ionic Conductivity and Tracer Diffusion in Glassy Chalcogenides

Igor Alekseev , Daniele Fontanari , Anton Sokolov , Maria Bokova , Mohammad Kassem
The World Scientific Reference of Amorphous Materials, 1, World Scientific, pp.203-249, 2021, ⟨10.1142/9789811215575_0008⟩
Chapitre d'ouvrage hal-04217958v1