@article{kim2024generalII, author = {Kim, Chang Woo and Franco, Ignacio}, title = "{General framework for quantifying dissipation pathways in open quantum systems. II. Numerical validation and the role of non-Markovianity}", journal = {The Journal of Chemical Physics}, volume = {160}, number = {21}, pages = {214112}, year = {2024}, month = {06}, abstract = "{In the previous paper [C. W. Kim and I. Franco, J. Chem. Phys. 160, 214111-1–214111-13 (2024)], we developed a theory called MQME-D, which allows us to decompose the overall energy dissipation process in open quantum system dynamics into contributions by individual components of the bath when the subsystem dynamics is governed by a Markovian quantum master equation (MQME). Here, we contrast the predictions of MQME-D against the numerically exact results obtained by combining hierarchical equations of motion (HEOM) with a recently reported protocol for monitoring the statistics of the bath. Overall, MQME-D accurately captures the contributions of specific bath components to the overall dissipation while greatly reducing the computational cost compared to exact computations using HEOM. The computations show that MQME-D exhibits errors originating from its inherent Markov approximation. We demonstrate that its accuracy can be significantly increased by incorporating non-Markovianity by exploiting time scale separations (TSS) in different components of the bath. Our work demonstrates that MQME-D combined with TSS can be reliably used to understand how energy is dissipated in realistic open quantum system dynamics.}", issn = {0021-9606}, doi = {10.1063/5.0202862}, url = {https://doi.org/10.1063/5.0202862}, eprint = {https://pubs.aip.org/aip/jcp/article-pdf/doi/10.1063/5.0202862/19977382/214112\_1\_5.0202862.pdf}, }