SimOS: A Python framework for simulations of optically addressable spins

We present an open-source simulation framework for optically detected magnetic resonance, developed in Python. The framework is designed to simulate multipartite quantum systems composed of spins and electronic levels, enabling the study of systems such as nitrogen-vacancy centers in diamond and photo-generated spin-correlated radical pairs. Our library provides system-specific sub-modules for these and related problems. It supports efficient time-evolution in Lindblad form, along with tools for simulating spatial and generalized stochastic dynamics. Symbolic operator construction and propagation are also supported for simple model systems, making the framework well-suited for classroom instruction in magnetic resonance. Designed to be backend-agnostic, the library interfaces with existing Python packages as computational backends. We introduce the core functionality and illustrate the syntax through a series of representative examples.

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Publication Details

Journal
Computer Physics Communications
Published
2025-11-02
DOI
https://doi.org/10.1016/j.cpc.2025.109919
Primary Topic
Diamond and Carbon-based Materials Research
Type
article
Field-Weighted Citation Impact
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article

SimOS: A Python framework for simulations of optically addressable spins

Laura A. Vӧlker, Christian L. Degen, John M. Abendroth
Computer Physics Communications
Diamond and Carbon-based Materials Research
article

SimOS: A Python framework for simulations of optically addressable spins

Laura A. Vӧlker, Christian L. Degen, John M. Abendroth
article en

Abstract

We present an open-source simulation framework for optically detected magnetic resonance, developed in Python. The framework is designed to simulate multipartite quantum systems composed of spins and electronic levels, enabling the study of systems such as nitrogen-vacancy centers in diamond and photo-generated spin-correlated radical pairs. Our library provides system-specific sub-modules for these and related problems. It supports efficient time-evolution in Lindblad form, along with tools for simulating spatial and generalized stochastic dynamics. Symbolic operator construction and propagation are also supported for simple model systems, making the framework well-suited for classroom instruction in magnetic resonance. Designed to be backend-agnostic, the library interfaces with existing Python packages as computational backends. We introduce the core functionality and illustrate the syntax through a series of representative examples.

Computer Physics CommunicationsVol. 320
ETH Zurich (CH)
Openalex Percentile: Top 75%
Diamond and Carbon-based Materials Research
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SimOS: A Python framework for simulations of optically addressable spins — Laura A. Vӧlker, Christian L. Degen, et al. · Computer Physics Communications (2025) | TGRS Research Map | TGRS