Ab-initio Density-matrix Exascale-Parallelized Transport for Spin-Selectivity (ADEPTS)

Thrust 1

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Ab-initio Open Quantum Dynamics from Density-Matrix Formalism

  • Ab-initio open quantum dynamics with all decoherence pathways (e-e, e-ph, e-i scatterings with SOC) for coupled spin and electron dynamics
  • Observables: spin and carrier T1, T2, spin diffusion length, time-resolved Kerr rotation, nonlinear photocurrents, orbital relaxation (under testing)
  • Observable dependence on E and B fields (orbital zeeman effect), carrier density, temperature
  • Markovian (Lindbladian) and beyond Markovian approximations (under construction)
  • Many-body effects for electron-electron interactions