Thrust 2

Spatio-temporal Quantum Transport for Spin and Electrons with ab-initio Scatterings

• Computational framework and exascale-targeted open-source implementation for simulating spatio-temporal quantum dynamics and transport, using Lindblad scattering in space
• First-principles treatment of any quantum degrees of freedom, e.g., electron, spin, valley etc., on equal footing, in arbitrary device geometries

• Resolution in phase space through Wigner functions: investigate spin transport in k and real space
• Scalable and portable code using PyTorch to target new GPU systems
• Efficient domain decomposition over real space retains parallel efficiency with increasing GPU count
• In progress: additional parallelization over k space for scaling from ~ 100 to ~ 104 GPUs.