Liste des publications de l'équipe MMCI Publications list of the MMCI team 224

Modélisation de la Matière Condensée et des Interfaces

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A Practical Noise2Noise Denoising Pipeline for High‐Throughput Raman Spectroscopy

David Martin-Calle, C. Alvarez-Llamas, Vincent Motto-Ros, Christophe Dujardin, Jérémie Margueritat, David Rodney

Advanced Engineering Materials (2026)

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Influence of electrical properties on thermal boundary conductance at metal/semiconductor interface

Quentin Pompidou, Juan Carlos Acosta Abanto, Mélanie Brouillard, Nicolas Bercu, Louis Giraudet, Rami Sheikh, Christophe Adessi, Samy Merabia, Séverine Gomés, Pierre-Olivier Chapuis et al.

Journal of Applied Physics , vol. 139 , p. 025302 (2026)

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Reproducible container solutions for codes and workflows in materials science

Dylan Bissuel, Léo Orveillon, Benjamin Arrondeau, Paulo Almeida de Mendonça, Irina Piazza, Martin Uhrin, Etienne Polack, Akshay Krishna Ammothum Kandy, David Martin-Calle, Jonathan Chapignac et al.

Advanced Engineering Materials , p. e202503185 (2026)

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Molecular insight on ultra-confined ionic transport in wetting films: The key role of friction

Aymeric Allemand, Anne-Laure Biance, Christophe Ybert, Laurent Joly

The Journal of Chemical Physics , vol. 164 (2026)

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Predictive patterning via solid-state dewetting of transferred single-crystal films

Seungjin Ju, Sangsun Lee, Donghwan Kim, Hyunsik Kim, Jaeho Lee, Jeong-Hwan Lee, Wi Hyoung Lee, Olivier Pierre-Louis, Jongpil Ye

Nature Communications , vol. 17 , p. 4542 (2026)

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Structural Color Palette of Disordered Colloids in the Rayleigh Scattering Regime

Kevin Vynck, Amina Bensalah, Chirine Saadi, Cécile Le Luyer, Romain Thomas, Denis Chateau, Parola Stephane, Anne Pillonnet

ACS photonics (2026)

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Characterization of plasticity in model metallic glasses by a detailed analysis of the plastic events

M Liang, Tristan Albaret, J Morthomas, L Chazeau, Claudio Fusco

Journal of Physics: Condensed Matter , vol. 38 , p. 205701 (2026)

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Anharmonic heat transport at metal–water interfaces: The role of molecular mobility

Oscar Gutiérrez-Varela, Julien El Hajj, Ruben Santamaria, Samy Merabia

International Journal of Heat and Mass Transfer , vol. 256 , p. 128066 (2026)

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Noise-induced instability of uniform flow in single-file traffic systems

Oscar Dufour, Alexandre Nicolas, David Rodney, Jakob Cordes, Andreas Schadschneider, Antoine Tordeux

PNAS Nexus , vol. 5 (2026)

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Influence of electric properties on thermal boundary conductance at metal/semiconductor interface

Quentin Pompidou, Juan Carlos Acosta Abanto, Mélanie Brouillard, Nicolas Bercu, Louis Giraudet, Raza Sheikh, Christophe Adessi, Samy Merabia, Séverine Gomés, Pierre-Olivier Chapuis et al.

AIP : Journal of Applied Physics , vol. 139 (2026)

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Learning lattice Kinetic Monte Carlo stochastic surface dynamics with Deep Generative Adversarial Networks

Daniele Lanzoni, Olivier Pierre-Louis, Roberto Bergamaschini, Francesco Montalenti

Acta Materialia , vol. 311 , p. 122149 (2026)

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Graphenylene Nanoflakes: A Promising Platform for Toxic Gas Detection

Gabriel H Batista, Ricardo Paupitz, Thomas Niehaus

ACS Omega (2026)

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Activation entropy of dislocation glide in body-centered cubic metals from atomistic simulations

Arnaud Allera, T D Swinburne, Alexandra Goryaeva, Baptiste Bienvenu, Fabienne Ribeiro, Michel Perez, Mihai-Cosmin Marinica, David Rodney

Nature Communications , vol. 16 , p. 8367 (2025)

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Updates on multiscale modular approach to modelling high-harmonic generation in gases

Jan Vabek, Stefan Skupin, Fabrice Catoire, Tadeáš Němec

, vol. PC13537 , p. 7 (2025)

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Elastic fields and dislocation pinning in random alloys with short-range order

David Rodney, Pierre-Antoine Geslin

Modelling and Simulation in Materials Science and Engineering , vol. 33 (2025)

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Upcycling polyethersulfones to luminescent materials by aminolysis

Johan Liotier, Leila Issoufou Alfari, Benoit Mahler, Thomas Niehaus, Christophe Dujardin, Simon Guelen, Vincent Schanen, Véronique Dufaud, Jean Raynaud, Vincent Monteil

Polymer Chemistry , vol. 16 , p. 1139-1145 (2025)

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An Accurate, Affordable Density Functional Tight-Binding Model for Excited State Hydrocarbon Polymer Molecular Dynamics

Gautam Dutta Stroscio, Cong Huy Pham, Thomas Niehaus, Nir Goldman

Journal of Chemical Theory and Computation , vol. 21 , p. 4328-4334 (2025)

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Towards more reliable public transportation Wi-Fi Origin-Destination matrices: Modeling errors using synthetic noise and optical counts

Léa Fabre, Caroline Bayart, Alexandre Nicolas, Patrick Bonnel

Transportation research. Part C, Emerging technologies , vol. 178 , p. 105202 (2025)

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Cavitation under extreme transfers

Mehdi Wassim Fawaz

(2025)

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Structure and energetics of ceria-zirconia alloys: Insights from first principles in the ceria-poor region

Gaël Huynh, Tristan Albaret, David Rodney

Physical Review Materials , vol. 9 , p. 083608 (2025)

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