Jerome Creuze

Journal articles

2025

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Alexandre Dezaphie, Clovis Lapointe, Alexandra Goryaeva, Jérôme Creuze, Mihai Cosmin Marinica. Designing hybrid descriptors for improved machine learning models in atomistic materials science simulations. Computational Materials Science, 2025, 246, pp.113459. ⟨10.1016/j.commatsci.2024.113459⟩. ⟨cea-05014837⟩

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Rohit Vasav, Thomas Jourdan, Gilles Adjanor, Achraf Badahmane, Jérôme Creuze, et al.. Cluster dynamics simulations using stochastic algorithms with logarithmic complexity in number of reactions. Journal of Computational Physics, 2025, 541, pp.114318. ⟨10.1016/j.jcp.2025.114318⟩. ⟨hal-05431390⟩

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2024

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F. Berthier, N. Longa, J. Creuze, B. Legrand. Hydrogen on screw dislocation in Fe and W: Existence of 3D-compound and exotic segregation profile. Acta Materialia, 2024, 267, pp.119714. ⟨10.1016/j.actamat.2024.119714⟩. ⟨hal-05431382⟩

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Marthe Bideault, Jérôme Creuze, Ryoji Asahi, Erich Wimmer. Polyvalent machine-learned potential for cobalt: From bulk to nanoparticles. Physical Review Materials, 2024, 8 (12), pp.123803. ⟨10.1103/PhysRevMaterials.8.123803⟩. ⟨hal-05431399⟩

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Rebecca Cervasio, Emilie Amzallag, Marine Verseils, Pierre Hemme, Jean-Blaise Brubach, et al.. Quantification of Crystalline Phases in Hf 0.5 Zr 0.5 O 2 Thin Films through Complementary Infrared Spectroscopy and Ab Initio Supercell Simulations. ACS Applied Materials & Interfaces, 2024, 16 (3), pp.3829-3840. ⟨10.1021/acsami.3c13848⟩. ⟨hal-04771538⟩

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2023

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Grégoire Breyton, Hakim Amara, Jaysen Nelayah, Jérôme Creuze, Hazar Guesmi, et al.. Atomic-Scale Surface Segregation in Copper-Gold Nanoparticles. Physical Review Letters, 2023, 130 (23), pp.236201. ⟨10.1103/PhysRevLett.130.236201⟩. ⟨hal-04182569v2⟩

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Alexandra Goryaeva, Christophe Domain, Alain Chartier, Alexandre Dezaphie, Thomas D. Swinburne, et al.. Compact A15 Frank-Kasper nano-phases at the origin of dislocation loops in face-centred cubic metals. Nature Communications, 2023, 14 (1), pp.3003. ⟨10.1038/s41467-023-38729-6⟩. ⟨cea-04151160⟩

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2022

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Hakim Amara, Jaysen Nelayah, Jérôme Creuze, Adrian Chmielewski, Damien Alloyeau, et al.. Effect of size on the surface energy of noble metal nanoparticles from analytical and numerical approaches. Physical Review B, 2022, 105 (16), pp.165403. ⟨10.1103/PhysRevB.105.165403⟩. ⟨hal-03863659⟩

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Manuel Athenes, Gilles Adjanor, Jérôme Creuze. Estimating linear mass transport coefficients in solid solutions via correlation splitting and a law of total diffusion. Physical Review Materials, 2022, 6, pp.013805. ⟨10.1103/PhysRevMaterials.6.013805⟩. ⟨cea-03745969⟩

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Rebecca Cervasio, Yoann Peperstraete, Thomas Maroutian, Raphaël Haumont, Marine Verseils, et al.. IR Spectroscopy of PbZr 1– x Ti x O 3 Material: A Complementary Experimental/ Ab Initio Calculations Approach of a Solid Solution. Journal of Physical Chemistry C, 2022, 126 (30), pp.12860-12869. ⟨10.1021/acs.jpcc.2c03046⟩. ⟨hal-05484023⟩

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Donald Goury, Emilie Amzallag, David Bérardan, Jérôme Creuze. Ab Initio Study of the Thermodynamics of Intrinsic Point Defects in Thermoelectric Oxychalcogenide BiCuSeO. Journal of Physical Chemistry C, 2022, 126 (13), pp.5960-5969. ⟨10.1021/acs.jpcc.1c09351⟩. ⟨hal-05484063⟩

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Savneet Kaur, Manuel Athenes, Jérôme Creuze. Absorption kinetics of vacancies by cavities in aluminum: Numerical characterization of sink strengths and first-passage statistics through Krylov subspace projection and eigenvalue deflation. Journal of Computational Physics, 2022, 454, pp.110987. ⟨10.1016/j.jcp.2022.110987⟩. ⟨cea-03746277⟩

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2021

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Pascal Andreazza, A. Lemoine, A. Coati, D. Nelli, R. Ferrando, et al.. From metastability to equilibrium during the sequential growth of Co–Ag supported clusters: a real-time investigation. Nanoscale, 2021, 13 (12), pp.6096-6104. ⟨10.1039/D0NR08862E⟩. ⟨hal-03613539⟩

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2019

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F. Berthier, J. Creuze, T. Gabard, B. Legrand, M.-C. Marinica, et al.. Order-disorder or phase-separation transition: Analysis of the Au-Pd system by the effective site energy model. Physical Review B, 2019, 99 (1), ⟨10.1103/PhysRevB.99.014108⟩. ⟨hal-02357985⟩

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Benjamin Langerome, Marine Verseils, Francesco Capitani, Jean-Blaise Brubach, Emilie Amzallag, et al.. Probing NaCl at High Pressure through Optical Studies and Ab Initio Calculations. Journal of Physical Chemistry C, 2019, 123 (25), pp.15724-15728. ⟨10.1021/acs.jpcc.9b02915⟩. ⟨hal-05096763⟩

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Jaysen Nelayah, Adrian Chmielewski, Damien Alloyeau, Hakim Amara, Jérôme Creuze, et al.. Revealing the Surface Energetics and Reactivity of Bimetallic Copper-Gold Catalyst Nanoparticles by In Situ Environmental TEM. Microscopy and Microanalysis, 2019, 25 (S1), pp.33-34. ⟨10.1017/S1431927618015891⟩. ⟨hal-02360329⟩

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2018

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Ismail Can Oğuz, Tzonka Mineva, Jérôme Creuze, Hazar Guesmi. Equilibrium Au–Pd(100) Surface Structures under CO Pressure: Energetic Stabilities and Phase Diagrams. Journal of Physical Chemistry C, 2018, 122 (33), pp.18922-18932. ⟨10.1021/acs.jpcc.8b04116⟩. ⟨hal-01860554⟩

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2017

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Zhu Beien, Front Alexis, Hazar Guesmi, Jérôme Creuze, Bernard Legrand, et al.. Magic compositions in Pd-Au nanoalloys. Computational and Theoretical Chemistry, 2017, 1107, pp.49-56. ⟨10.1016/j.comptc.2016.12.023⟩. ⟨hal-01426928⟩

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F. Berthier, J. Creuze, B. Legrand. Effective site-energy model: A thermodynamic approach applied to size-mismatched alloys. Physical Review B: Condensed Matter and Materials Physics (1998-2015), 2017, 95 (22), ⟨10.1103/PhysRevB.95.224102⟩. ⟨hal-02357990⟩

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Adrian Chmielewski, Jaysen Nelayah, Hakim Amara, Jérôme Creuze, Damien Alloyeau, et al.. Direct measurement of the surface energy of bimetallic nanoparticles: Evidence of Vegard’s rule-like dependence. Physical Review Letters, 2017, 120 (2), ⟨10.1103/PhysRevLett.120.025901⟩. ⟨hal-03175987⟩

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J.B. Marie, I. Braems, Amandine Bellec, C. Chacon, J. Creuze, et al.. Incoherent Ag islands growth on Ni(100). Surface Science : A Journal Devoted to the Physics and Chemistry of Interfaces, 2017, 656, pp.101 – 108. ⟨10.1016/j.susc.2016.10.004⟩. ⟨hal-01720878⟩

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Beien Zhu, Alexis Front, Hazar Guesmi, Jérôme Creuze, Bernard Legrand, et al.. Magic compositions in Pd-Au nanoalloys. Computational and Theoretical Chemistry, 2017, 1107, pp.49-56. ⟨10.1016/j.comptc.2016.12.023⟩. ⟨hal-03547790⟩

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2016

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Beien Zhu, Jérôme Creuze, Christine Mottet, Bernard Legrand, Hazar Guesmi. CO adsorption-induced surface segregation and formation of Pd chains on AuPd(100) alloy: density functional theory based ising model and Monte Carlo simulations. Journal of Physical Chemistry C, 2016, 120, pp.350-359. ⟨10.1021/acs.jpcc.5b10158⟩. ⟨hal-01267581⟩

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2015

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Jérôme Creuze, Hazar Guesmi, Christine Mottet, Beien Zhu, Bernard Legrand. Surface segregation in AuPd alloys: Ab initio analysis of the driving forces. Surface Science : A Journal Devoted to the Physics and Chemistry of Interfaces, 2015, 639, pp.48 – 53. ⟨10.1016/j.susc.2015.04.017⟩. ⟨hal-01378430⟩

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B. Zhu, H. Guesmi, J. Creuze, Bernard Legrand, C. Mottet. Crossover among structural motifs in Pd–Au nanoalloys. Physical Chemistry Chemical Physics, 2015, 17, pp.28129-28136. ⟨10.1039/C5CP00491H⟩. ⟨hal-01222110⟩

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2013

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Beien Zhu, Gode Thrimurthulu, Laurent Delannoy, Catherine Louis, Christine Mottet, et al.. Evidence of Pd segregation and stabilization at edges of AuPd nano-clusters in the presence of CO: A combined DFT and DRIFTS study. Journal of Catalysis, 2013, 308, pp.272-281. ⟨10.1016/j.jcat.2013.08.022⟩. ⟨hal-03184658⟩

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2010

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F. Berthier, I. Braems, E. Maras, J. Creuze, B. Legrand. Extending cluster dynamics to concentrated and disordered alloys: The linear-chain case. Acta Materialia, 2010, 58 (7), pp.2387-2398. ⟨10.1016/j.actamat.2009.12.025⟩. ⟨hal-02990473⟩

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2008

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J. Creuze, I. Braems, F. Berthier, C. Mottet, G. Treglia, et al.. Model of surface segregation driving forces and their coupling. Physical Review B: Condensed Matter and Materials Physics (1998-2015), 2008, 78 (7), pp.075413. ⟨hal-00386878⟩

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F. Lequien, J. Creuze, F. Berthier, I. Braems, B. Legrand. Superficial segregation, wetting, and dynamical equilibrium in bimetallic clusters: A Monte Carlo study. Physical Review B: Condensed Matter and Materials Physics (1998-2015), 2008, 78 (7), ⟨10.1103/PhysRevB.78.075414⟩. ⟨hal-02990567⟩

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R. Tétot, A. Hallil, J. Creuze, I. Braems. Tight-binding variable-charge model for insulating oxides: Application to TiO2 and ZrO2 polymorphs. EPL – Europhysics Letters, 2008, 83 (4), pp.4676-4681. ⟨10.1109/CDC.2002.1185116⟩. ⟨hal-02990587⟩

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2006

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Isabelle Braems, F. Berthier, J. Creuze, R. Tetot, B. Legrand. Complete miscibility between different crystallographic structures Monte Carlo simulations of Cu-Ag deposited on Cu(001). Physical Review B: Condensed Matter and Materials Physics (1998-2015), 2006, 74 (1-4), pp.113406. ⟨10.1103/PhysRevB.74.113406⟩. ⟨cea-02356014⟩

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A. Hallil, R. Tétot, F. Berthier, I. Braems, J. Creuze. Use of a variable-charge interatomic potential for atomistic simulations of bulk, oxygen vacancies, and surfaces of rutile TiO 2. Physical Review B: Condensed Matter and Materials Physics (1998-2015), 2006, 73 (16), ⟨10.1103/PhysRevB.73.165406⟩. ⟨hal-02990563⟩

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F. Lequien, J. Creuze, F. Berthier, B. Legrand. Superficial segregation in nanoparticles from facets to infinite surfaces. The Journal of Chemical Physics, 2006, 125 (9), pp.094707. ⟨10.1063/1.2245804⟩. ⟨cea-02356034⟩

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Virginie Moreno, Jérôme Creuze, Fabienne Berthier, Christine Mottet, Guy Tréglia, et al.. Site segregation in size-mismatched nanoalloys: Application to Cu–Ag. Surface Science : A Journal Devoted to the Physics and Chemistry of Interfaces, 2006, 600 (22), pp.5011-5020. ⟨10.1016/j.susc.2006.08.030⟩. ⟨cea-02355772⟩

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V. Moreno, J. Creuze, F. Berthier, C. Mottet, G. Treglia, et al.. Site segregation in size-mismatched nanoalloys : application to Cu-Ag. Surface Science : A Journal Devoted to the Physics and Chemistry of Interfaces, 2006, 600, n° 22, pp.5011-5020. ⟨hal-00126786⟩

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Conference papers

2025

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Rebecca Cervasio, Marine Verseils, Pierre Hemme, Jean-Blaise Brubach, Alessandro Coati, et al.. Structural and electrical properties of ferroelectric HfZrO2-based nano-capacitors for non-volatile memories. C’NANO 2025, Centre national de Compétences en Nanosciences du CNRS, Mar 2025, Paris, France. ⟨hal-05043637⟩

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2024

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Rebecca Cervasio, Jordan Bouaziz, Marine Verseils, Pierre Hemme, Jean-Blaise Brubach, et al.. Deposition optimization, infrared spectroscopy and ab initio simulations of ferroelectric HfZrO2 thin films. CMD31, European Physical Society; CMD-General Conference of the Condensed Matter Division, Sep 2024, Braga, Portugal. ⟨hal-04749674⟩

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2023

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Alexandra Goryaeva, Christophe Domain, Alain Chartier, Alexandre Dezaphie, Tom Swinburne, et al.. Compact A15 Frank-Kasper nano-phases at the origin of dislocation loops in face-centred cubic metals. TimeMan meeting 2023, Sep 2023, Lille, France. ⟨cea-04596659⟩

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2005

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Isabelle Braems, Fabienne Berthier, Jérome Creuse, Robert Tétot, Bernard Legrand. solubilité complète en surface entre deux métaux de structure cristllographique différente. JSI 2005, 2005, LYON, France. ⟨hal-00108263⟩

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Habilitation à diriger des recherches

2011

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Jérôme Creuze. Ségrégation et transitions de phase dans les alliages bimétalliques : du massif aux nanoparticules.. Science des matériaux [cond-mat.mtrl-sci]. Université Paris Sud – Paris XI, 2011. ⟨tel-00712146⟩

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Theses

2000

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Jérôme Creuze. Des surfaces aux joints de grains : la ségrégation dans tous ses états. Analyse de données, Statistiques et Probabilités [physics.data-an]. Université Paris Sud – Paris XI, 2000. Français. ⟨NNT : ⟩. ⟨tel-00001572⟩

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Preprints, Working Papers, …

2025

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Grégoire Breyton, Hakim Amara, Jaysen Nelayah, Christine Mottet, Riccardo Gatti, et al.. Metallurgy at the nanoscale: domain walls in nanoalloys. 2025. ⟨hal-05288455⟩

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2023

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F Berthier, N. Longa, J. Creuze, B Legrand. Hydrogen on screw dislocation in Fe and W: existence of 3D-compound and exotic segregation profile. 2023. ⟨hal-04272324v1⟩

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2021

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Hakim Amara, Jaysen Nelayah, Jérôme Creuze, Adrian Chmielewski, Damien Alloyeau, et al.. Is There Really a Size effect on the Surface Energy of Nanoparticles ?. 2021. ⟨hal-03310351⟩

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