Dresden 2026 – scientific programme

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MA: Fachverband Magnetismus

MA 25: Focus Session: Chiral phonons and crystals coupled to magnetic order I

MA 25.7: Talk

Wednesday, March 11, 2026, 12:00–12:15, HSZ/0002

Real-time laser-driven (chiral) phonon dynamics from atomistic simulations — •Mike Pols and Nicola A. Spaldin — Materials Theory, ETH Zürich, Zürich, CH-8093, Switzerland

I will present an approach to simulate the real-time dynamics of excited phonons in materials. Using machine-learning interatomic potentials (MLIPs) together with laser-driven molecular dynamics simulations, we can capture the response of materials to driven (chiral) phonon excitations and directly capture their nonlinear vibrational dynamics. Driving phonon modes into the nonlinear regime can induce a wide range of material properties, such as strain and magnetism [1]. While first-principles modeling has provided valuable insights into these dynamics, the commonly used coupled-oscillator method requires the computation of numerous higher-order coupling coefficients [2], limiting its scalability.

Our MLIP-based approach enables the direct simulation of the full anharmonic lattice response. It effectively models both IR- and Raman-active modes, with finite-temperature effects, and the nonlinear couplings to high orders. Using this method, we explore the vibrational dynamics of linear and chiral phonons in oxide perovskites, enabling predictive simulations of the behavior and coupling of phonons in functional materials.

[1] A. Disa et al., Nat. Phys. 17, 1087 (2021).

[2] A. Subedi et al., Phys. Rev. B 89, 220301 (2014).

Keywords: molecular dynamics; laser; machine-learning; phonons; chiral phonons