ICREA Prof. Stephan Roche is working at the Catalan Institute of Nanosciences and Nanotechnology-ICN2. He leads the "Theoretical & Computational Nanoscience" group which focuses on physics of Topological Quantum Matter (graphene & topological insulators,...) and 2D materials-based van der Waals heterostructures. He pioneered the development of linear scaling quantum transport approaches enabling simulations of billion atoms-scale disordered models (www.lsquant.org). He studied Theoretical Physics at ENS, got PhD (1996) at Grenoble University (France); worked in Japan, Spain & Germany; appointed assistant Prof. in 2000, CEA Researcher in 2004 and ICREA in 2009. Award: Friedrich Wilhelm Bessel prize from the Alexander von Humboldt Foundation (Germany). He is co-founder of Apeiron Intelligence (www.apeironai.eu), a spinoff dedicated to the development of computational worflows to accelerate advanced materials design for large scale industries
Research interests
S. Roche explores quantum transport in Topological Quantum Matter including graphene & topological insulators, and 2D materials-based van der Waals heterostructures and amorphous structures (amorphous boron-nitride & graphene). Topics (i) topological physics & entanglement (ii) Artificial Intelligence applied to Condensed Matter (ii) spin transport phenomena (iii) quantum decoherence mechanisms (iv) thermal transport at nanoscale (v) quantum devices simulation. He pioneered and is leading the development of linear scaling transport approaches, enabling unrivalled simulations of large-scale (disordered) models, which are now efficiently connected with Artificial Intelligence (AI) tools providing unprecedented ab-initio accuracy of properties simulation in billion atoms scale models
Selected publications
- Guerrero PA, Nguyen VH, Romeral JM, Cummings AW, Garcia JH, Charlier JC & Roche S
Physical Review Letters 134 - 12, 126301
- Alcón I, Cummings AW, Ribas E, Roche S & Mugarza A, 2025 ´Progress on quantum transport engineering in atomically precise anisotropic nanoporous graphene´,Nanoscale Adv. 7, 5932-5943
- Malica C, Novoselov KS, Barnard AS, Kalinin SV, Spurgeon SR, Reuter K et al. Roche S 2025, ‘Artificial intelligence for advanced functional materials: exploring current and future directions’, JPhys Materials, vol. 8, no. 2, pp 021001.
- Kim H, Oh S, An S, Kim J, Kim T, Jeong S, Kaya O, Galvani T, Roche S, Cha JJ, Chhowalla M, Shin HS & Shin HJ 2025, 'Future interconnect materials for highly integrated semiconductor devices', Nature reviews electrical engineering, 2 - 12 - 835 - 845.
- Cummings AW, Dubois SM-M, Alcázar Guerrero P, Charlier J-C & Roche S 2025, ‘Upper limit of spin relaxation in suspended graphene’, Carbon, 234, 119920
- Torres LEFF & Roche S 2025, 'A non-Hermitian loop for a quantum measurement', Journal of physics communications, 9 - 6 - 065001.
- Romeral JM, Cummings AW & Roche S 2025, 'Scaling of the integrated quantum metric in disordered topological phases', Physical review b, 111 - 13 - 134201.
Selected research activities
1) Launch of Apeiron Intelligence (ICN2 and ICREA spin-off) focused on smart, AI-assisted scientific workflow orchestration for advanced materials R&D, bridging simulation codes, machine-learned models, and industry-facing use cases to accelerate discovery/design - www.apeironai.eu
2) Main organizer of GRAPHENE 2025, QUANTUM MATTER 2025 and AI4AM 2025, cumulating about 1500 participants.
3) Invited talks at AIXSCIENCE, NANO KOREA 2025, MAM2025