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TT: Fachverband Tiefe Temperaturen

TT 24: Poster Session: Transport

TT 24.1: Poster

Donnerstag, 30. September 2021, 13:30–16:00, P

Efficient steady-state solver for the hierarchical equations of motion approach: formulation and application to charge transport through nanosystems — •Christoph Kaspar and Michael Thoss — University of Freiburg

We present an iterative algorithm [1] to efficiently solve the hierarchical equations of motion (HEOM) [2,3] for the steady-state of open quantum systems. The approach reduces the computational resources required by traditional steady-state solvers, in particular for larger systems or the low temperature regime. It uses the method of matrix equations in combination with a efficient preconditioning technique and a hierarchy truncation scheme. We illustrate the numerical performance of the method by applications to models of charge transport in single-molecule junctions.
[1] Kaspar et al., J. Phys. Chem. A 125, 23, 5190-5200 (2021)
[2] Jin et al., J. Chem. Phys. 128, 234703 (2008)
[3] Tanimura, J. Chem. Phys. 153, 020901 (2020)