Sensitivity to Dispersion Forces in First-Principles Modeling of Disordered Chalcogenides
Massobrio, Carlo, Martin, Evelyne, Chaker, Ziyad, Boero, Mauro, Bouzid, Assil, Le Roux, Sébastien, Ori, Guido
Published in Frontiers in materials (21.12.2018)
Published in Frontiers in materials (21.12.2018)
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Journal Article
NMR shifts in aluminosilicate glasses machine learning
Chaker, Ziyad, Salanne, Mathieu, Delaye, Jean-Marc, Charpentier, Thibault
Published in Physical chemistry chemical physics : PCCP (09.10.2019)
Published in Physical chemistry chemical physics : PCCP (09.10.2019)
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Journal Article
Systematic Method for the Exploration, Representation, and Classification of the Diphenylalanine Solvatomorphic Space
Chaker, Ziyad, Chervy, Pierre, Boulard, Yves, Bressanelli, Stéphane, Retailleau, Pascal, Paternostre, Maité, Charpentier, Thibault
Published in The journal of physical chemistry. B (26.08.2021)
Published in The journal of physical chemistry. B (26.08.2021)
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Journal Article
The structure and dipolar properties of CO2 adsorbed in a porous glassy chalcogel: Insights from first-principles molecular dynamics
Chaker, Ziyad, Bouzid, Assil, Coasne, Benoit, Massobrio, Carlo, Boero, Mauro, Ori, Guido
Published in Journal of non-crystalline solids (15.10.2018)
Published in Journal of non-crystalline solids (15.10.2018)
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Journal Article
The structure and dipolar properties of CO 2 adsorbed in a porous glassy chalcogel: Insights from first-principles molecular dynamics
Chaker, Ziyad, Bouzid, Assil, Coasne, Benoit, Massobrio, Carlo, Boero, Mauro, Ori, Guido
Published in Journal of non-crystalline solids (01.10.2018)
Published in Journal of non-crystalline solids (01.10.2018)
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Journal Article
First-principles study of the atomic structure of glassy Ga10Ge15Te75
Chaker, Z., Ori, G., Boero, M., Massobrio, C., Furet, E., Bouzid, A.
Published in Journal of non-crystalline solids (15.10.2018)
Published in Journal of non-crystalline solids (15.10.2018)
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Journal Article
The role of dispersion forces on the atomic structure of glassy chalcogenides: The case of GeSe4 and GeS4
Chaker, Ziyad, Ori, Guido, Tugène, Christine, Le Roux, Sébastien, Boero, Mauro, Massobrio, Carlo, Martin, Evelyne, Bouzid, Assil
Published in Journal of non-crystalline solids (01.11.2018)
Published in Journal of non-crystalline solids (01.11.2018)
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Journal Article
Layered Simple Hydroxides Functionalized by Fluorene‐Phosphonic Acids: Synthesis, Interface Theoretical Insights, and Magnetoelectric Effect
Evrard, Quentin, Chaker, Ziyad, Roger, Mélissa, Sevrain, Charlotte M., Delahaye, Emilie, Gallart, Mathieu, Gilliot, Pierre, Leuvrey, Cédric, Rueff, Jean‐Michel, Rabu, Pierre, Massobrio, Carlo, Boero, Mauro, Pautrat, Alain, Jaffrès, Paul‐Alain, Ori, Guido, Rogez, Guillaume
Published in Advanced functional materials (03.11.2017)
Published in Advanced functional materials (03.11.2017)
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Journal Article
Quantitative sampling of conformational heterogeneity of a DNA hairpin using molecular dynamics simulations and ultrafast fluorescence spectroscopy
Voltz, Karine, Léonard, Jérémie, Touceda, Patricia Tourón, Conyard, Jamie, Chaker, Ziyad, Dejaegere, Annick, Godet, Julien, Mély, Yves, Haacke, Stefan, Stote, Roland H
Published in Nucleic acids research (20.04.2016)
Published in Nucleic acids research (20.04.2016)
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Modeling recombination processe in RE doped Up-Conversion nanocrystals
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