Predictive Theory and Simulation of Ultrafast Nonequilibrium Quantum Dynamics
Predictive Theory and Simulation of Ultrafast Nonequilibrium Quantum Dynamics
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My mission
My mission
My research is driven by a central goal: to develop theoretical and computational frameworks that uncover, control, and apply emergent quantum phenomena in materials far from equilibrium. Nonequilibrium pathways—triggered by tailored terahertz (THz) fields or high-enthalpy gas impacts—can access transient states that are inaccessible in equilibrium, enabling new routes to functional phases (e.g., topology control, charge-density-wave melting, long-lived coherent dynamics) and providing quantitative models for technologically critical processes (e.g., oxidation and ablation in thermal protection materials under extreme hypersonic and re-entry environments).
Figure 2 | Research achievements on functional control of quantum materials via light-driven nonequilibrium processes:
(a) In the topological material ZrTe5_55, we established a first-principles dynamical workflow for terahertz-driven coherent-phonon–carrier pumping. The theoretical framework was further extended to (b) multi–order-parameter coupled systems in CDW materials, and (c) nonlinear multi-phonon coupling systems in perovskites.
Figure 3 | We proposes an error-mitigation scheme for VQE empowered by “active learning + Gaussian process regression (GPR),” enabling efficient quantification of energy minimization and uncertainty control, and significantly reducing the quantum sampling overhead.
Peer Reviewer Reviewed manuscripts for leading journals, including:
◦ Physical Review Letters— 2◦ Physical Review Research — 1◦ Physical Review Materials— 5◦ Physical Review B— 7◦ Physical Review E— 1◦ Computational Condensed Matter— 1◦ Solid State Communications— 1◦ Journal of Molecular Modeling— 2◦ Applied Surface Science — 1
Caption for a recent accomplishment
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