Publications ( 185 )

Accurate estimation of interfacial thermal conductance between silicon and diamond enabled by a machine learning interatomic potential

Ali Rajabpour, Bohayra Mortazavi, Pedram Mirchi, Julien El Hajj, Yangyu Guo, Xiaoying Zhuang, Samy Merabia

International Journal of Thermal Sciences, vol. 214, p109876 (2025)

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

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

Journal of Chemical Theory and Computation, vol. 21, p4328-4334 (2025)

Near-future projections in continuous agent-based models for crowd dynamics: mathematical structures in use and their implications

Iñaki Echeverría-Huarte, Antonin Roge, Olivier Simonin, Alexandre Nicolas

Journal of Statistical Mechanics: Theory and Experiment, p033403 (2025)

Transformation-induced plasticity in CeO 2 -ZrO 2 ceramics: Atomic-scale insights using a deep neural network potential

Jin-Yu Zhang, Gaël Huynh, Tristan Albaret, Fu-Zhi Dai, David Rodney

Acta Materialia, vol. 285, p120661 (2025)

Asymmetric polarization gating for spectral tuning and temporal confinement of high-order harmonics

C. Picot, J. Vabek, T. Němec, Stefan Skupin, Eric Constant, Fabrice Catoire

Physical Review A, vol. 111, p023110 (2025)

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, p1139-1145 (2025)

In-situ Laue micro-diffraction during compression tests on Ce-TZP single crystal micropillars

M.D. Magalhaes, Thierry Douillard, H. Reveron, S. Comby-Dassonneville, T.W. Cornelius, S. Meille, M. Texier, J.S. Micha, D. Rodney, O. Thomas, Jérôme Chevalier

Journal of the European Ceramic Society, vol. 45, p116794 (2025)

Non-adiabatic Couplings in Surface Hopping with Tight Binding Density Functional Theory: The Case of Molecular Motors

Gonzalo Díaz Mirón, Adrian Domínguez-Castro, Debarshi Banerjee, Marta Monti, Bálint Aradi, Michael Sentef, Thomas Niehaus, Ali Hassanali

Journal of Chemical Theory and Computation, vol. 20, p10602 - 10614 (2024)

Van der Waals semiconductor InSe plastifies by martensitic transformation

Yandong Sun, Yupeng Ma, Jin-Yu Zhang, Tian-Ran Wei, Xun Shi, David Rodney, Ben Xu

Science Advances, vol. 10 (2024)

The Poisson–Boltzmann equation in micro- and nanofluidics: A formulary

Cecilia Herrero, Laurent Joly

Physics of Fluids, vol. 36, p101801 (2024)

Enhanced thermal conductance at interfaces between gold and amorphous silicon and between gold and amorphous silica

Julien El Hajj, Christophe Adessi, Michaël de San Feliciano, Gilles Ledoux, Samy Merabia

Physical Review B, vol. 110, p115437 (2024)

Non-monotonic flow variations in a TASEP-based traffic model featuring cars searching for parking

Valentin Anfray, Alexandre Nicolas

Journal of Physics: Complexity, vol. 5, p035014 (2024)

Continuous agent-based modeling of adult-child pairs based on a pseudo-energy: Relevance for public safety and egress efficiency

Chuan-Zhi Thomas Xie, Tie-Qiao Tang, Alexandre Nicolas

Safety Science, vol. 177, p106576 (2024)

Reinforcement learning with thermal fluctuations at the nanoscale

Francesco Boccardo, Olivier Pierre-Louis

Physical Review E, vol. 110, pL023301 (2024)

Equilibrium and non-equilibrium molecular dynamics simulation of thermo-osmosis: enhanced effects on polarised graphene surfaces

Mehdi Ouadfel, Samy Merabia, Yasutaka Yamaguchi, Laurent Joly

Molecular Physics, vol. 122, pe2392016 (2024)

Roadmap on photonic metasurfaces

Sebastian Schulz, Rupert. Oulton, Mitchell Kenney, Andrea Alù, Isabelle Staude, Ayesheh Bashiri, Zlata Fedorova, Radoslaw Kolkowski, A. Femius Koenderink, Xiaofei Xiao, John Yang, William Peveler, Alasdair Clark, George Perrakis, Anna Tasolamprou, Maria Kafesaki, Anastasiia Zaleska, Wayne Dickson, David Richards, A. V Zayats, Haoran Ren, Yuri Kivshar, U. Husemann, Xianzhong Chen, Muhammad Afnan Ansari, Yuhui Gan, Arseny Alexeev, Thomas Krauss, Andrea Di Falco, Sylvain Gennaro, Tomás Santiago-Cruz, Igal Brener, Maria Chekhova, Ren-Min Ma, Viola Vogler-Neuling, Helena Weigand, Ülle-Linda Talts, Irene Occhiodori, Rachel Grange, Mohsen Rahmani, Lei Xu, S. Kamali, E. Arababi, Andrei Faraon, Anthony Harwood, Stefano Vezzoli, Riccardo Sapienza, Philippe Lalanne, Alexandre Dmitriev, Carsten Rockstuhl, Alexander Sprafke, Kevin Vynck, Jeremy Upham, M. Zahirul Alam, Israel de Leon, Robert Boyd, Willie Padilla, Jordan Malof, Aloke Jana, Zijin Yang, Rémi Colom, Qinghua Song, Patrice Genevet, Karim Achouri, Andrey Evlyukhin, Ulrich Lemmer, Ivan Fernandez-Corbaton

Applied Physics Letters, vol. 124, p260701 (2024)

Phonon-induced band gap renormalization by dielectric dependent global hybrid density functional tight binding

Tammo van der Heide, Ben Hourahine, Bálint Aradi, Thomas Frauenheim, Thomas Niehaus

Physical Review B, vol. 109, p245103 (2024)

Classification of Pedestrian Crowds by Dimensionless Numbers

Jakob Cordes, Alexandre Nicolas, Andreas Schadschneider

Collective Dynamics, vol. 9, p1-10 (2024)

Extreme near-field heat transfer between silica surfaces

Ali Rajabpour, Julien El Hajj, Mauricio Gómez Viloria, Riccardo Messina, Philippe Ben-Abdallah, Yangyu Guo, Samy Merabia

Applied Physics Letters, vol. 124, p192203 (2024)

Microscopic Interpretation of the Payne Effect in Model Fractal-Aggregate Polymer Nanocomposite

Yang Wang, Gaëtan Maurel, Marc Couty, François Detcheverry, Samy Merabia

Macromolecules, vol. 57, p3636-3646 (2024)

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