Mark Kamper Svendsen has been awarded a Humboldt Research Fellowship to investigate how cavities need to be adapted in order to achieve specific changes in the materials placed inside them. more

Sam Holt, a postdoc in the Scientific Support Unit Computational Science, has been awarded a Marie Skłodowska-Curie Actions Fellowship. The funding will allow him to explore new and novel magnetic structures.
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Mariana Rossi, who specializes in computational physical chemistry and leads the Lise Meitner research group Simulations from Ab Inition Approaches: Structure and Dynamics from Quantum Mechanics at the MPSD, has been awarded the prestigious Nernst-Haber-Bodenstein Prize 2024 by the German Bunsen Society. more

Angel Rubio, director of the Theory Department and managing director of the MPSD, has been awarded the prestigious Spanish National Research Prize for his work on computational solid-state physics. more

The pioneering Magnetic Multiscale Modelling Suite (MaMMoS) will combine experiments, simulation, and artificial intelligence (AI) to identify and design innovative magnetic materials and optimise them for cutting-edge devices and sensors. more

An investigation of the Kagome metal AV₃Sb₅ without external perturbations has yielded new insights into this group of materials. The work, now published in Nature Physics, is a crucial step in order to understand the intrinsic electronic ground state of this material.  more

Measurements of the fluctuations of the atomic positions in SrTiO₃ under mid-infrared light yield new insights into the creation of the material’s ferroelectric state. An MPSD research team reports in Nature Materials that the material transforms into a state of permanently ordered electrical dipoles.  more

Researchers at the University of California San Diego and the MPSD have used an advanced optical technique to learn more about Ta₂NiSe₅ (TNS), with a broadened range of frequencies. The MPSD’s Theory Group provided DFT calculations for the study. more

Jonathan Mannouch, a postdoc in the Theory Department, has been awarded a Humboldt Research Fellowship. He joined the MPSD in October 2022 and has been developing new approaches for simulating nonadiabatic dynamics in chemical systems. more

New study published in Nature Communications by members of the Theory Department sheds light on the optical nonlinearities induced and amplified by strong phonon resonances within hexagonal boron nitride (hBN). more