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fixing introduction
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demonstrations_v2/simulating_resonant_inelastic_x_ray_scattering/demo.py

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Simulating Resonant Inelastic X-Ray Scattering
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Our understanding of reality is only as accurate as our models and our models are only as accurate as our ability to interpret their
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Our understanding of reality is only as accurate as our models. Our models are only as accurate as our ability to interpret their
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results.
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In our battery-dependent world, it is very important that we properly understand
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how and why our battery technologies age and die. Lithium excess (Li-excess)
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Lithium excess (Li-excess)
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batteries are currently being eyed as the next generation of high-capacity
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batteries, but they are plagued by short lifespans. In an attempt to figure
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out why, resonant inelastic x-ray scattering (RIXS) experiments, an advanced
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X-ray spectroscopy technique that monitors energy changes between input and
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output photons that interact with a target molecule, have been deployed.
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These tests have indicated that Li-excess cathodes produce
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batteries. In an attempt to determine why they boast such short lifespans,
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**resonant inelastic x-ray scattering (RIXS)** experiments, an advanced
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X-ray spectroscopy technique, have indicated that Li-excess cathodes produce
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molecular oxygen that becomes trapped inside the battery, leading to decline.
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In 2025, Gao et al. published "Clarifying the origin of molecular O2 in cathode
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Though this wasn't necessarily a "back to the drawing board" moment, this shift in
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interpretation and understanding shed light on the need for reliable simulations
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that can help with the validation and interpretation of experimental results. The
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problem? Classical computers simply cannot handle RIXS simulation.
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problem? Classical computers simply cannot handle RIXS simulation for significant system sizes.
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This is precisely the case made by Loaiza et al. in "Quantum algorithm for simulating
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resonant inelastic X-ray scattering of battery materials". Here, a quantum algorithm
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amplitude estimation (QAE) <demos/iterative_quantum_amplitude_estimation>`, and
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:doc:`quantum phase estimation (QPE) <demos/tutorial_qpe>`. This solution not only
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addresses the typical resource limitations of classical computation, but unlocks
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access to the quantum processes that RIXS relies on, which are inaccessible
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to classical systems.
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access to the quantum processes that RIXS relies on.
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Today, our goal will be to understand how these quantum building blocks work
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together to make way for reliable RIXS simulation and begin to open the door for
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more capable advanced materials discovery in the future. Let's get to work!
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more capable advanced materials discovery in the future. After working through
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this demo, you should be better acquainted with RIXS and its simulation potential.
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Let's get to work!
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Getting Started
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===============

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