The project “Simulation of reaction equilibria in polymer systems – method development and applications” from the MacroMolecularModeling (MaMoMo) research group, headed by Peter Košovan, was evaluated as excellent by the …
We investigate electronic structure, magnetism, and related quantum properties of materials, including spin and valley physics, topological states. In addition, we study functional properties relevant to energy and spintronics, such …
Unconventional magnetic phases, particularly altermagnets, have recently been recognized as a big breakthrough in 2024 (Science Magazine), opening a new frontier in condensed matter physics and materials science. Since the …
Carrier relaxation and energy dissipation following photoexcitation govern ultrafast processes in energy materials such as photocatalysts and solar cells. Using time-dependent density functional theory (TDDFT) and ab initio non-adiabatic molecular …
When quantum materials are driven far from equilibrium by intense laser excitation, their properties can be dramatically modified. A variety of intriguing non-equilibrium phenomena can emerge, including charge transfer, ultrafast …
