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Theory and Materials Modelling

Theoretical Chemical Physics 




The TCP group develops novel methodologies bringing the quantum-mechanical level of insight to large and complex systems by combining first-principles quantum methods, machine learning, coarse-grained statistical approaches, as well as developing novel mathematical and computational techniques.

Group Leader: Prof. Alexandre Tkatchenko


Theoretical Solid-State Physics





The TSSP group investigates light-matter interactions on a microscopic scale. We develop and use advanced theoretical and computational methods derived from quantum mechanical first principles to describe the dynamics of electronic and atomic excitations. This enables us to analyze and predict various optical properties, such as absorption, luminescence, and resonant Raman spectra. Recently, the group has focused on a quantitative description of the influence of the electron- and exciton-phonon interaction on these spectroscopic properties. We particularly apply our methods to 2D materials and semiconductors that are interesting for the development of novel opto-electronic devices, such as sensors and solar cells.

Group Leader: Prof. Ludger Wirtz

Complex Systems and Statistical Mechanics




The CSSM group develops statistical methods to describe the dynamics and thermodynamics of complex systems operating far-from-equilibrium. These include open quantum systems, biochemical reaction networks and electrical circuits. We are particularly interested in characterizing the trade-offs between energetic dissipation, speed, precision and accuracy of processes such as energy conversion, information processing and computation.  

Group Leader: Prof. Massimiliano Esposito


Theory of Mesoscopic Quantum Systems






The TMQS group investigates quantum phenomena at mesoscopic scales, with a particular focus on nonequilibrium transport, topological  materials and low-dimensional systems, using both analytical and numerical methods.

Group Leader: Prof. Thomas Schmidt


Physics of Active Matter






The PAM group explores the physics of active systems made of self-propelled interacting agents. Using minimal theoretical models, the aim is to capture the essential ingredients which control the emergent dynamics, and to provide a synthetic understanding of the complex phenomenology of active matter. We rely on tools of statistical mechanics, hydrodynamics, and soft matter, with a particular emphasis on the role of nonequilibrium fluctuations.

Group Leader: Assistant Prof. Etienne Fodor

Quantum Science and Technology





The QST group works at the interface of Quantum Information Science, Condensed Matter, Nonequilibrium Statistical Mechanics and Quantum Control to advance emergent Quantum Technologies, covering Quantum Simulations, Quantum Computing and Algorithms, Quantum Sensing and Quantum Thermodynamics.

Group Leader: Prof. Adolfo del Campo

Quantum Dynamics and Control




The QDC group investigates dynamical properties of open quantum systems and develops protocols for their control. We combine analytical and numerical tools, mainly from quantum optics and stochastic analysis, to characterise processes such as decoherence, entanglement, and excitation transfer. The systems of interests are diverse and range from single toy models to chaotic systems and natural molecular aggregates.

Group Leader: Dr. Aurelia Chenu