Theoretical and Computational Nanoscience

In 2025, the group has further consolidated its leadership in spin transport physics across low-dimensional Dirac materials and van der Waals heterostructures. Recent work on spin-orbit torques and field-free switching in magnetic Janus dichalcogenides, together with advances on unconventional torque components in Dirac systems, highlights the capacity of the group to link symmetry, spin texture and device functionality.

Apeiron Intelligence, launched in November 2025

Stephan Roche, José-Hugo Garcia and Andrei Voicu Tomut launched Apeiron Intelligence (www.apeironai.eu), a deep-tech spinoff aimed at reducing the operational complexity of advanced scientific simulation through automated workflows and artificial intelligence. Its core technology, SynoChain, orchestrates multi-software
simulation chains into stable, reproducible pipelines, connecting tools across electronic structure, atomistic modelling, transport and AI. The group consolidated several strategic directions during 2025, combining frontier quantum transport theory, AI-driven modelling and technology-oriented collaborations:

Disorder-induced delocalisation in magic-angle twisted bilayer graphene

A 2025 Physical Review Letters paper revealed a counterintuitive role of disorder in magic-angle twisted bilayer graphene, showing that imperfections do not only suppress transport, but can also induce delocalisation. The result expands the group’s expertise in realistic simulations of complex quantum materials, where disorder, lattice reconstruction and electronic structure must be treated together.

AI-enhanced linear-scaling quantum transport for realistic disordered materials

The group continued to expand its linear-scaling quantum transport ecosystem and its AI-enhanced modelling strategy through LSQUANT, AI4LSQUANT and related activities around AI4SPIN. The objective is not only to simulate increasingly complex nanomaterials and quantum nanodevices, but also to automate the generation of realistic structural and electronic models of disordered and amorphous systems.

European leadership in advanced materials and quantum technologies

Throughout 2025, Roche remained active in European coordination activities linking ICN2 to the post-Flagship landscape. Building on past leadership in the Graphene Flagship, contributions were made to the IAM-I partnership and to initiatives where AI, data infrastructure and innovative advanced materials increasingly converge. In parallel, the group continued to contribute to the Spanish quantum communications programme and to the local quantum training ecosystem.

Theoretical and Computational Nanoscience

Theoretical research on quantum transport phenomena in topological quantum matter (topological insulators, Weyl semimetals) in equilibrium and non-equilibrium regimes
Spin dynamics and entanglement properties in Dirac matter (graphene, two-dimensional materials) and van der Waals heterostructures, with the search for new paradigm of quantum information manipulation
Artificial Intelligence and machine learning techniques to accelerate the building of realistic and adaptative structural and electronic models of highly disordered materials and heterostructures
Predictive modelling and multiscale numerical simulation of complex nanomaterials and quantum nanodevices
Molecular dynamics, thermal transport properties and thermoelectricity in nanomaterials of interest for microelectronics (amorphous graphene and boron nitride)