Mpsqd is a python package that uses matrix product states (MPS) to solve both the time dependent Schrödinger equation (TDSE) and the hierarchical equations of motion (HEOM).
pip install mpsqd
Two modes for using the code are provided.
- The first one is provided for several applications in the
/examplesfolder, where the user provides necessary python files for initial conditions, construction of the MPO, while using thempsqdpackage as a library to to theMPS oprtations and time-dependent propagation. - The second approach uses the pre-built models, where the models are presented in the
/modelsfolder, examples for this type of usage in provided in the/ipynbfolder.
Primitive documentation can be found in the included .ipynb files.
- Q. Shi, Y. Xu, Y. Yan, and M. Xu, “Efficient propagation of the hierarchical equations of motion using the matrix product state method,” J. Chem. Phys. 148, 174102 (2018).
- W.-Z. Guan, P. Bao, J.-W. Peng, Z.-G. Lan, and Q. Shi, “mpsqd: A matrix product state based Python package to simulate closed and open system quantum dynamics” J. Chem. Phys. 161, 122501 (2024)