PyCCE - A Python Package for Cluster Correlation Expansion Simulations of Spin Qubit Dynamics
At a Glance
Section titled āAt a Glanceā| Metadata | Details |
|---|---|
| Publication Date | 2021-10-03 |
| Journal | Advanced Theory and Simulations |
| Authors | Mykyta Onizhuk, Giulia Galli |
| Institutions | University of Chicago, Argonne National Laboratory |
| Citations | 36 |
Abstract
Section titled āAbstractāAbstract PyCCE, an openāsource Python library for simulating the dynamics of spin qubits in a spin bath, is presented using the clusterācorrelation expansion (CCE) method. PyCCE includes modules to generate realistic spin baths, employing coupling parameters computed from first principles with electronic structure codes, and enables the user to run simulations with either the conventional or generalized CCE method. Three use cases of the Python library are illustrated: the calculation of the Hahnāecho coherence time of the nitrogenāvacancy in diamond; the calculation of the coherence time of the basal divacancy in silicon carbide at avoided crossings; and the calculation for magnetic field orientationādependent dynamics of a shallow donor in silicon. The complete documentation, downloadable tutorials, and installation instructions are available at https://pycce.readthedocs.io/en/latest/ .