Vineeth Thalakottoor

PyOR: A Versatile Magnetic Resonance Simulator for Learning and Teaching

Python On Resonance (PyOR) is an open-source, object-oriented simulation package for exploring magnetic resonance phenomena in both liquid- and solid-state systems. Originally developed to model nonlinear NMR effects such as radiation damping and maser dynamics, PyOR has since evolved into a versatile and user-friendly framework. It enables users to learn, simulate, and visualize various NMR experiments, making it accessible to beginners from diverse backgrounds, including physics, chemistry, and biology.Its modular architecture emphasizes clarity and readability, enabling users to directly link textbook-level formulations of spin dynamics with their computational realization. The package is organized into specialized modules that address key aspects of magnetic resonance theory and practice, including the generation of spin operators and Hamiltonians, the simulation of quantum mechanical time evolution, the modeling of nonlinear effects such as radiation damping and maser dynamics, the incorporation of relaxation mechanisms, and the visualization of results.PyOR is easy for students to start using, thanks to its clear design and many Jupyter Notebook examples, while still being flexible enough for advanced research. https://github.com/VThalakottoor/PyOR

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