Projet: 2017EMPPX0317
Raj Narayan Konduru, Olivier Farges, Vincent Schick, Patrick Hairy, Yves Gaillard, Gilles Parent, Experimental and numerical investigation of porous heat exchangers with Kelvin cell structured foam at high temperatures: Coupled conduction-convection and radiation heat transfer, International Journal of Heat and Mass Transfer, Volume 224, 2024. hal-04479243
Thomas Villemin, Olivier Farges, Gilles Parent, Rémy Claverie, Monte Carlo prediction of the energy performance of a photovoltaic panel using detailed meteorological input data, International Journal of Thermal Sciences, Volume 195, 2024. hal-04222017
Projet: 2017M4XXX0312
Jancic, M. Zaloznik, G. Kosec, Meshless interface tracking for the simulation of dendrite envelope growth, Journal of Computational Physics, 2024, 507, pp.112973. hal-04532003
2018M4XXX0108
T. Ly Nguyen, Th. Mazet, E. Gaudry, D. Malterre, F. H. Chang, H. J. Lin, C. T. Chen, Y. C. Tseng, A. Chainani*, Crucial role of d−d Coulomb correlations in the magnetocaloric ferrimagnets Gd6(Mn1−xMx)23 (M=Fe,Co), Phys. Rev. B 109 (2024) 035102. hal-04535898
Projet: 2018EMPPX0394
F. Asllanaj, S. Contassot-Vivier, G. C. Fraga, F. H. R. Fran_ca, R. J. Collet da Fonseca. New gas radiation model of high accuracy based on the principle of weighted sum of gray gases, Journal of Quantitative Spectroscopy and Radiative Transfer, vol. 315, p. 108887, 3 2024. hal-04375649
Projet: 2018M4XXX0593
Houssam Kharouji, Lucile Dezerald, Pierre Hirel, Philippe Carrez, Patrick Cordier, Vincent Taupin, Julien Guénolé. Atomistic to continuum mechanics description of crystal defects with dislocation density fields: application to dislocations and grain boundaries, under review in International Journal of Plasticity (2024). hal-04471501
Projet: 2018CPMXX0602
Prampolini, G.; Andersen, A.; Poulter, B.; Khalil, M.; Govind, N.; Biasin, E.; Pastore, M.* “Integrated Quantum-Classical Protocol for the Realistic Description of Solvated Multinuclear Mixed-Valence Transition-Metal Complexes and Their Solvatochromic Properties, J. Chem. Theory Comput. 2024, 20 (3), 1306-1323. https://doi.org/10.1021/acs.jctc.3c01084.
Projet: 2018M4XXX0118
Chatelain, CTMRG Study of the Critical Behavior of an Interacting-Dimer Model, arXiv:2401.14830, 2024. hal-04417911
Projet: 2019CPMXX1332
Prampolini, G.; Porwal, V. K.; Carof, A.; Ingrosso, F. Tautomeric Contributions to the Absorption Spectrum of [2,2 -Bipyridyl]-3,3 -Diol in Water Unveiled by Molecular Dynamics with Accurate Quantum Mechanically Derived Force-Fields. J. Mol. Liq. 2024, 396, 123898. hal-04384063
Mohamed Houssein, M.; Belloni, L.; Borgis, D.; Ingrosso, F.; Carof, A. Molecular Integral Equations Theory in the near Critical Region of CO2. arXiv March 13, 2024.
Projet: 2019M4XXX0978
Sama, J.N., Biancalani, A., Bottino, A., Del Sarto, D., et al., Ion temperature gradient mode mitigation by energetic particles, mediated by forced-driven zonal flows. 2024. arXiv:2401.04501
Projet: 2021M4XXX2481
Houssam Kharouji, Lucile Dezerald, Pierre Hirel, Philippe Carrez, Patrick Cordier, Vincent Taupin, Julien Guénolé. Atomistic to continuum mechanics description of crystal defects with dislocation density fields: application to dislocations and grain boundaries. 2024. hal-04471501
Projet: 2021M4XXX2438
Xiaolei Chen, Lionel Germain, Stéphane Berbenni. Hierarchy of the macrozone features in Ti-6Al-4V alloy inferred from massive polycrystal plasticity calculations. Journal of Materials Research and Technology Volume 29, March–April 2024, Pages 2468-2482. hal-04445540
Projet: 2021CPMXX2483
Groslambert, L., Cornaton, Y., Ditte, M., Aubert, E., Pale, P., Tkatchenko, A., Djukic, J.-P., Mamane, V. (2023) Chem. Eur. J. 2024, 30, e202302933. « Affinity of Telluronium Chalcogen Bond Donors for Lewis Bases in Solution: A Critical Experimental-Theoretical Joint Study ». hal-04299754
Projet: 2022CPMXX2687
Cottone G, Malliavin TE and Müller MM. Conformational Space of the Translocation Domain of Botulinum Toxin: Atomistic Modeling and Mesoscopic Description of the Coiled-Coil Helix Bundle. Int. J. Mol. Sci. 2024, 25(5), 2481. hal-04469786