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The research work is concerned with the theoretical understanding and computational modelling of quantum materials (bulk and surfaces) using first principles methods (primarly VASP). Quantum materials are systems with many interacting degrees of freedom (lattice, spin and electron orbital) that represent a rich platform for the discovery of novel electronic and magnetic phases with fundamental and applicative interest. Specific topics include: Metal-insulator transitions, Polaron physics (electron-phonon interactions), non-collinear spin orderings, topological Dirac/Weyl phases, multiferroism and superconductivity.
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论文共 248 篇作者统计合作学者相似作者
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COMPUTATIONAL MATERIALS SCIENCE (2024): 112764
Viktor C. Birschitzky,Igor Sokolović, Michael Prezzi, Krisztián Palotás,Martin Setvín,Ulrike Diebold,Michele Reticcioli,Cesare Franchini
npj Computational Materialsno. 1 (2024): 1-9
Chunlei Wang, Panukorn Sombut,Lena Puntscher,Zdenek Jakub,Matthias Meier,Jiri Pavelec,Roland Bliem,Michael Schmid,Ulrike Diebold,Cesare Franchini,Gareth S. Parkinson
ANGEWANDTE CHEMIE-INTERNATIONAL EDITIONno. 16 (2024): e202317347-e202317347
Serghei N. Klimin,Jacques Tempere,Matthew Houtput, Stefano Ragni,Thomas Hahn,Cesare Franchini, Andrey S. Mishchenko
arxiv(2024)
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Journal of the American Chemical Society (2024)
arXiv (Cornell University) (2024): 112764
Chun-Yu Liu,Lorenzo Celiberti,Régis Decker,Kari Ruotsalainen, Katarzyna Siewierska, Maximilian Kusch,Ru-Pan Wang, Dong Jik Kim, Israel Ibukun Olaniyan, Daniele Di Castro,Keisuke Tomiyasu,Emma van der Minne,
Communications Physicsno. 1 (2024): 1-7
Viktor C. Birschitzky,Igor Sokolovic, Michael Prezzi,Krisztian Palotas,Martin Setvin,Ulrike Diebold,Michele Reticcioli,Cesare Franchini
arxiv(2024)
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