DM-HEOM comprises a software suite to compute Open Quantum System Dynamics with the Hierarchical Equations of Motion approach [1].
DM-HEOM was developed by Matthias Noack based on physical models and prototypes provided by Tobias Kramer, Yaroslav Zelinskyi, and Mirta Rodríguez. Implementation details are described in [2] (computational part) and in [3] (equations used, physical reference spectra).
Please see the Wiki for the documentation and examples.
DM-HEOM has been developed at the Zuse Institute Berlin (ZIB), Germany, in the framework of:
- the DFG Grant "Realistische Simulationen photoaktiver Systeme auf Hochleistungsrechnern mit Vielkernprozessoren" (Realistic Simulations of Photoactive Systems on HPC-systems with Many-Core Processors), (PIs: Dr. Tobias Kramer, Prof. Dr. Alexander Reinefeld), and
- the Intel Parallel Computing Center (IPCC) "Research Center for Many-core High-Performance Computing" at ZIB (PI: Dr. Thomas Steinke).
We thank the North-German Supercomputing Alliance (HLRN) for providing computational resources.
We further thank L. Deecke, J. Launer, L. Gaedke-Merzhäuser, and D. Reusche for also contributing to DM-HEOM. A full list of contributors can be found in the CONTRIBUTORS.md file.
DM-HEOM is released under the 3-clause BSD License (see LICENSE file).
If you use DM-HEOM for your scientific research, we respectfully ask you to cite [2,3].
[1] Y. Tanimura, R. Kubo "Time evolution of a quantum system in contact with a nearly Gaussian-Markoffian noise bath" J. Phys. Soc. Jpn. 1989, 58, 101.
[2] M. Noack, A. Reinefeld, T. Kramer and Th. Steinke "DM-HEOM: A Portable and Scalable Solver-Framework for the Hierarchical Equations of Motion", 2018 IEEE International Parallel and Distributed Processing Symposium Workshops (IPDPSW), Vancouver, BC, 2018, pp. 947-956. https://doi.org/10.1109/IPDPSW.2018.00149
[3] T. Kramer, M. Noack, A. Reinefeld, M. Rodríguez, Y. Zelinskyi, "Efficient calculation of open quantum system dynamics and time-resolved spectroscopy with distributed memory HEOM (DM-HEOM)", 2018, Journal of Computational Chemistry. https://doi.org/10.1002/jcc.25354