The Ultrafast Dynamics in Quantum Materials Group, headed by Dr. Junjie He, develops theoretical and computational approaches to investigate non-equilibrium ultrafast physical and chemical processes in a broad class of materials, including quantum materials and the surface/interface of nanomaterials, with particular emphasis on energy conversion and transfer, spintronics, and emergent quantum properties. Particularly, our research explores ultrashort laser pulse-driven coupled charge, orbital, spin, and lattice dynamics on ultrafast timescales, ranging from attoseconds, femtoseconds to picoseconds. We aim to understand and control transient quantum phenomena and non-equilibrium states of matter. We maintain close connections with experiments through direct comparison with time-resolved spectroscopic techniques.
Our approach combines quantum-mechanical first-principles methods, including time-dependent density functional theory (TDDFT) with mixed quantum–classical dynamics (e.g., surface hopping and Ehrenfest dynamics), as well as tight-binding models, atomistic spin models, machine learning and other physical approaches.
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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 …
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