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Home » Institute » Departments & Research Groups » Computational Design of Functional Interfaces » CODEFI Publications

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  • Q. Xu, A. Fischer, N. Tancogne-Dejean et al. Engineering 2D square lattice Hubbard models in 90° twisted GeX=SnX (X = S, Se) Moiré superlattices. Physical Review X, 15, 041049, (2025)
  • P. De Breuck, H. Wang, G. Rignanese et al. Generative AI for crystal structures: a review. npj Computational Materials, 11, 370, (2025)
  • G. Benedini, A. Loew, M. Hellström et al. Universal machine learning potentials for systems with reduced dimensionality. AI for Science, 1, 025005, (2025)
  • A. Belabbes, M. Keller, J. Furthmüller et al. Hexagonal Ge/Si0.25⁢Ge0.75 quantum wells: Prediction of quantization and light-emission strength. Physical Review B, 112, 205304, (2025)
  • S. Escobar Steinvall, H. Thulin, N. Kawashima et al. Unconventional cross sections in zinc phosphide nanowires grown using exclusively earth-abundant components. arXiv:2511.03906, 1, xx, (2025)
  • K. Gao, W. Cui, T. Cerqueira et al. Enhanced superconductivity in X4H15 compounds via hole-doping at ambient pressure. Advanced Science, 12, e08419, (2025)
  • T. Rossi, N. Tancogne-Dejean, M. Oppermann et al. Dynamic control of electron correlations in photodoped charge-transfer insulators. Science Advances, 11, eadx5676, (2025)
  • K. Gao, T. Cerqueira, A. Sanna et al. The maximum Tc of conventional superconductors at ambient pressure. Nature Communications, 16, 8253, (2025)
  • A. Loew, D. Sun, H. Wang et al. Universal machine learning interatomic potentials are ready for phonons. npj Computational Materials, 11, 178, (2025)
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