We conduct integrated computational and experimental validation research to develop computational models and innovative numerical algorithms to predict, discover, and manipulate mesoscale patterns of electrons, lattice, spins, and polarization in quantum and functional materials and their stability and temporal dynamics under external stimuli.

We are developing a software package, Q-POP, parallelized to enable exascale computing for simulating the mesostructures of quantum and functional materials and their responses to external thermal, chemical, electrical, magnetic, and mechanical stimuli towards designing device architectures for harnessing these functionalities.

Examples

Coupled Electronic and Structural Phase Transitions at the Mesoscale

• Metal-insulator Transitions in VO2 Thin Films
• Superconducting Phase Transition in FeSe
• Stripe Pattern Formation in Ca2RuO4

Nanoscale Topological Textures and Their Properties

    

• Sub-Terahertz modes of collective motions in polar vortices
• Optical creation of a 3-d supercrystal in ferroelectric superlattices

Ultrafast Non-Equilibrium Mesoscale Dynamics

• Electronic Carrier Evolution and Domain Dynamics
• Electron and lattice dynamics in Ca₃Ru₂O₇