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Publications
Our Latest Publications


AI-designed Si–Ge superlattices push the boundaries of thermal transport
Publication in npj Computational Materials! Controlling heat flow in nanostructures is crucial for digital technologies, AI, and power electronics, but the vast number of possible architectures makes optimization difficult. By combining quantum simulations with artificial intelligence, we have demonstrated that the local arrangement of layers in silicon–germanium (Si–Ge) superlattices strongly influences thermal transport. At the nanoscale, heat is carried mainly by phonons—v


Quantum modeling of electron-hole dissociation at the donor-acceptor interface in an organic solar cell
Publication in Physical Review Applied! Electron-hole pairs in organic photovoltaics are known to dissociate efficiently despite a Coulomb binding energy that exceeds thermal energy, a behavior that remains only partially understood. While previous studies have highlighted the role of electron-phonon interactions and nonequilibrium effects, a clear and physically transparent picture of the dissociation mechanism is still lacking. In this work, we investigate this problem usin


Machine learning method applied to optimization of cooling nanodevices
Publication in Scientific Reports! Cooling devices grounded in solid-state physics are promising candidates for integrated-chip...
Archives
1) N. Cavassilas, F. Michelini, M. Bescond, "Nonequilibrium quantum modeling of electron-hole dissociation at the donor-acceptor interface in an organic solar cell," Phys. Rev. Appl. 25, 054041 (2026). https://doi.org/10.1103/dhqj-4tp12) N. Maeda, J. Huang, X. Zhu, M. Bescond, N. Nagai, K. Kuroyama, K. Hirakawa, "Impact of Momentum Relaxation Process on Miniband Transport in Semiconductor superlattices," Phys. Status Solidi A 223 e202500924 (2026) https://doi.org/10.1103/PhysRevApplied.23.044061 3) S. Tyagi, J. G. Fernandez, A. Sebbar, N. Seoane, A. Garcia-Loureiro and M. Bescond, "Machine-Learning Discovery of Extreme Coherent Thermal Transport Governed by Motif-Level Order in Si-Ge Superlattices," npj Comput. Mater. (2026). https://doi.org/10.1038/s41524-026-02172-0
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