When light, such as a laser, is irradiated onto matter, the dynamics of atoms and electrons within the material are driven. We have been studying these driven atomic and electronic dynamics using microscopic simulations based on quantum mechanics. Furthermore, through these simulation approaches, we are also studying the microscopic physical processes underlying light-induced phenomena.

In conventional materials science calculations, first-principles simulations based on density functional theory have been widely used to study the equilibrium properties of matter. However, such equilibrium approaches are not well suited to capturing the dynamics driven by light within materials. Our research method employs time-dependent density functional theory, which can handle material dynamics, thereby going beyond equilibrium descriptions and enabling precise analysis of nonequilibrium phenomena, nonlinear effects, and ultrafast processes driven by light.

* First-principles calculations for optical science
* Real-time simulations of nonequilibrium dynamics of electrons and atoms
* Clarifying microscopic mechanisms behind macroscopic phenomena induced by light

We are developing theoretical and computational methods to accurately describe the nonlinear and nonequilibrium dynamics of atoms and electrons driven by light. We are also conducting research aimed at creating new science and technology based on light-driven phenomena. We hope that our research will contribute to the social implementation of new scientific and technological advances.

• First-principles calculations
• Laser
• Light
• Electron dynamics
• Attosecond Physics