TIMES (Time-resolved sImulations of ultrafast phenoMena in quantum matErialS) addresses a key challenge in modern materials science: understanding, predicting, and controlling quantum materials under nonequilibrium conditions. Many emerging technologies, including quantum computing, ultrafast electronics, photonics, and energy conversion, rely on materials driven far from equilibrium by external stimuli such as femtosecond laser pulses. These conditions generate complex coupled dynamics between electrons and atomic nuclei, leading to transient quantum states and emergent phenomena that cannot be described by conventional approaches.
Although experimental techniques now provide access to ultrafast processes on attosecond timescales, theoretical and computational methods lag behind. Most ab initio approaches are designed for equilibrium conditions and struggle to capture strong correlations, nonadiabatic effects, and the full time dependence of interacting quantum systems. This limits the interpretation of experiments and the predictive design of materials with tailored ultrafast properties.
In this context, TIMES brings together a multidisciplinary network combining expertise in theoretical physics, computational chemistry, materials science, and industrial research. The project aligns with European priorities in quantum technologies and advanced materials, where predictive modelling is a key driver of innovation and competitiveness.
The main ambition of TIMES is to develop a new generation of time-resolved ab initio simulation methods capable of describing ultrafast nonequilibrium phenomena in realistic materials across timescales from attoseconds to nanoseconds. This ambition is structured around three main objectives. The first is the development of novel theoretical and computational frameworks that include strong electronic correlations, nonadiabatic couplings, and interactions with external fields, enabling simulations of processes such as charge migration, decoherence, and light-induced phase transitions. The second objective is the application of these methods to functional quantum materials, including two-dimensional systems, perovskites, and magnetic materials, with the aim of identifying microscopic mechanisms governing their time-dependent properties. The third objective focuses on training a new generation of researchers through interdisciplinary supervision and strong links with industry.
TIMES addresses four major scientific challenges: the manipulation and control of coherent quantum states, the understanding of ultrafast phase transitions, the role of exciton–phonon interactions in layered materials, and the design of single-photon emitters via defect engineering in two-dimensional systems.
The impact of TIMES is based on the integration of methodological innovation, applications, and training. Scientifically, it delivers new simulation capabilities to access previously unexplored regimes of nonequilibrium quantum matter. Technologically, it provides predictive tools for the design of quantum devices and ultrafast optoelectronic components. At the societal level, it contributes to strengthening Europe’s expertise in quantum and digital technologies. Overall, TIMES promotes a shift toward time-resolved, predictive materials modelling, enabling long-term advances in quantum technologies and functional materials.
