Jerome Creuze
Build. 670, office 3207 – SP2M – ICMMO - UMR 8182
Université Paris-Saclay
Bâtiment 670
17-19 Avenue des Sciences
91400 Orsay
FRANCE
Jérôme Creuze is Professor of Chemistry at University Paris-Sud and is currently one of the two heads of the Synthesis, Properties and Modeling of Materials team. His research activities focus mainly on the equilibrium thermodynamics of metal (nano)alloys using and developing numerical simulations tools at the atomic scale.
orcid.org/0000-0002-0306-6190
researchgate.net
Most recent publications:
Designing hybrid descriptors for improved machine learning models in atomistic materials science simulations. A. Dézaphie, C. Lapointe, A. M. Goryaeva, J. Creuze, M.-C. Marinica, Computational Materials Science, 2025, 246, 113459
Polyvalent machine-learned potential for cobalt: From bulk to nanoparticles. M. Bideault, J. Creuze, R. Asahi, E. Wimmer, Physical Review Materials, 2024, 8, 123803
Hydrogen on screw dislocation in Fe and W: Existence of 3D-compound and exotic segregation profile. F. Berthier, N. Longa, J. Creuze, B. Legrand, Acta Materialia, 2024, 267, 119714
Quantification of Crystalline Phases in Hf0.5Zr0.5O2 Thin Films through Complementary Infrared Spectroscopy and Ab Initio Supercell Simulations. R. Cervasio, E. Amzallag, M. Verseils, P. Hemme, J.-B. Brubach, I. Canero Infante, G. Segantini, P. Rojo Romeo, A. Coati, A. Vlad, Y. Garreau, A. Resta, B. Vilquin, J. Creuze, P. Roy, ACS Applied Materials & Interfaces, 2024, 16, 3829-3840
Atomic-scale surface segregation in copper-gold nanoparticles. G. Breyton, H. Amara, J. Nelayah, J. Creuze, H. Guesmi, D. Alloyeau, G. Wang, C. Ricolleau, Physical Review Letters, 2023, 130, 236201
Compact A15 Frank-Kasper nano-phases at the origin of dislocation loops in face-centred cubic metals. A. M. Goryaeva, C. Domain, A. Chartier, A. Dézaphie, T. D. Swinburne, K. Ma, M. Loyer-Prost, J. Creuze, M.-C. Marinica, Nature Communications, 2023, 14, 3003
IR Spectroscopy of PbZr1–xTixO3 Material: A Complementary Experimental/Ab Initio Calculations Approach of a Solid Solution. R. Cervasio, Y. Peperstraete, T. Maroutian, R. Haumont, M. Verseils, J.-B. Brubach, R. Tétot, J. Creuze, P. Roy, E. Amzallag, The Journal of Physical Chemistry C, 2022, 126, 12860-12869
Ab Initio Study of the Thermodynamics of Intrinsic Point Defects in Thermoelectric Oxychalcogenide BiCuSeO. D. Goury, E. Amzallag, D. Berardan, J. Creuze, The Journal of Physical Chemistry C, 2022, 126, 5960-5969
Effect of size on the surface energy of noble metal nanoparticles from analytical and numerical approaches. H. Amara, J. Nelayah, J. Creuze, A. Chmielewski, D. Alloyeau, C. Ricolleau, B. Legrand, Physical Review B, 2022, 105, 165403
Estimating linear mass transport coefficients in solid solutions via correlation splitting and a law of total diffusion. M. Athènes, G. Adjanor, J. Creuze, Physical Review Materials, 2022, 6, 013805
Absorption kinetics of vacancies by cavities in aluminum: Numerical characterization of sink strengths and first-passage statistics through Krylov subspace projection and eigenvalue deflation. S. Kaur, M. Athènes, J. Creuze, Journal of Computational Physics, 2022, 454, 110987
From metastability to equilibrium during the sequential growth of Co-Ag supported clusters: a real-time investigation. P. Andreazza, A. Lemoine, A. Coati, D. Nelli, R. Ferrando, Y. Garreau, J. Creuze, C. Andreazza-Vignolle, Nanoscale, 2021, 13, 6096-6104
Probing NaCl at High Pressure through Optical Studies and Ab Initio Calculations. B. Langerome, M. Verseils, F. Capitani, J.-B. Brubach, E. Amzallag, E. Calandrini, J. Creuze, P. Roy, The Journal of Physical Chemistry C, 2019, 123, 15724-15728
Order-disorder or phase-separation transition: Analysis of the Au-Pd system by the effective site energy model. F. Berthier, J. Creuze, T. Gabard, B. Legrand, M.-C. Marinica, C. Mottet, Physical Review B, 2019, 99, 014108
Equilibrium Au-Pd(100) Surface Structures Under CO Pressure : Energetic Stabilities and Phase Diagrams. I. C. Oguz, T. Mineva, J. Creuze, H. Guesmi, The Journal of Physical Chemistry C, 2018, 122, 18922-18932
Direct measurement of the surface energy of bimetallic nanoparticles: Evidence of Vegard’s rule-like dependence. A. Chmielewski, J. Nelayah, H. Amara, J. Creuze, D. Alloyeau, G. Wang, C. Ricolleau, Physical Review Letters, 2018, 120, 025901
Ag on a Ni vicinal surface: Coupling Stranski-Krastanov and “magic” heteroepitaxial growth. A. Bellec, Y. Garreau, J. Creuze, A. Vlad, F. Picca, M. Sauvage-Simkin, A. Coati, Physical Review B, 2017, 96, 085414
Effective site-energy model: A thermodynamic approach applied to size-mismatched alloys. F. Berthier, J. Creuze, B. Legrand, Physical Review B, 2017, 95, 224102
Magic compositions in Pd-Au nanoalloys. B. Zhu, A. Front, H. Guesmi, J. Creuze, B. Legrand, C. Mottet, Computational and Theoretical Chemistry, 2017, 1107, 49-56
Incoherent Ag islands growth on Ni(100). J.-B. Marie, I. Braems, A. Bellec, C. Chacon, J. Creuze, Y. Girard, S. Gueddani, J. Lagoute, V. Repain, S. Rousset, Surface Science, 2017, 656, 101-108
CO Adsorption-Induced Surface Segregation and Formation of Pd Chains on AuPd(100) Alloy: DFT-Based Ising Model and Monte Carlo Simulations. B. Zhu, J. Creuze, C. Mottet, B. Legrand, H. Guesmi, The Journal of Physical Chemistry C, 2016, 120, 350
Surface segregation in AuPd alloys: ab initio analysis of the driving forces. J. Creuze, H. Guesmi, C. Mottet, B. Zhu, B. Legrand, Surface Science, 2015, 639, 48
Crossover among structural motifs in Pd-Au nanoalloys. B. Zhu, H. Guesmi, J. Creuze, B. Legrand, C. Mottet, Physical Chemistry Chemical Physics, 2015, 17, 28129