superspinsim 0.5.0

A GPU-based simulator for time-dependent quantum systems.

SuperSpinsim

Documentation - GitHub - PyPI - Poster

A general, GPU-based simulator, optimised for time-dependent spin systems. We were motivated by the ability to quickly simulate highly time-dependent quantum sensing protocols for the seven-level spin and optical model of the nitrogen-vacancy (NV) colour centre in diamond. However, the dynamics of general atomic and defect systems are able to be simulated as well.

A simulated NV contrast experiment (fully-rendered microwave pulse):

A simulated NV optically-detected magnetic resonance (ODMR) sweep (fully-rendered microwave frequency sweep, and fully simulated optical dynamics):

Project status

SuperSpinsim is a work-in-progress.

The simulator is currently functional. There may still be some edge cases that cause errors; please let us know here if any are found.

There are a few features related to efficient representation of states/processes that we want to add which are not fully-implemented yet:

• Compressed, equivalence class representations of systems which have subspaces of states unaffected by the equations of motion.
  • Experimental feature; implemented but not fully tested.
• Efficient calculation of purely unitary dynamics.

We will submit a manuscript for review when the above are implemented.

There are some further features which are thinking about adding, possibly after the manuscript is submitted:

• Support to split the problem over multiple GPUs, rather than just one.
• Support for running the algorithm on (SIMD operations on) a CPU.

Installation

SuperSpinsim is built on top of number.cuda, which means it has similar system requirements:

• An Nvidia GPU capable of cuda.
  • Meaning AMD, Apple, and Intel GPUs are not currently supported.
• Official Nvidia graphics drivers.
• The Nvidia cuda toolkit
  • An installer can be downloaded directly, or it can be installed from a package manager like conda or pacman.
• Python versions 3.11 to 3.13 only.
  • Meaning python version 3.14 is not currently supported.

If all of these are satisfied, then SuperSpinsim can be installed from the Python Package Index (PyPI),

uv add superspinsim       # If using the uv package manager
pip install superspinsim  # If using the pip package manager

From source

SuperSpinsim can be built from source using the uv package manager.

git clone https://github.com/monashNV/superspinsim.git
cd superspinsim
uv build

SuperSpinsim can also be installed into another project without being built using the uv package manager.

mkdir other-project
git clone https://github.com/monashNV/superspinsim.git
cd other-project
uv init
uv add ../superspinsim

Version log

0.5.0

Added unitary mode for solving the Shroedinger/von Neumann equation.

0.4.0

Tested equivalence classes.

0.3.3

Added a test system for a continuous integration (CI) like workflow to try and catch bugs early.

0.3.2

Qudratures datatype changed from float128 to float64 for windows compatibility.

0.3.1

README links fixed.

0.3.0

Public release.

0.2.0

Implementing equivalence classes.

0.1.1

Fixed bug in undefined zfs_generator in generate_generators.

0.1.0

First usable; private.