Launching field‑dependent NMR spin Hamiltonians for real‑world quantum algorithms
HQS released curated, commercially relevant NMR spin Hamiltonians in Struqture format, enabling teams to benchmark algorithms on models that matter. A free 6‑month license, browser‑based access, and reference spectra via HQS Spectrum Tools make it easy to get started. Try it yourself: Run a NMR Use Case by making a cloud account and use our software directly in a Juypter Notebook in the browser or install locally.
HQS released a curated, commercially relevant set of spin Hamiltonians in Struqture format so every algorithm developer can test their work on models that matter. In the near term, quantum computers will only be used to simulate the time evolution of spin systems, and nuclear‑magnetic resonance (NMR) is the classic laboratory technique where spin dynamics translates directly into measurable spectra. Chemical shifts, coupling patterns, and relaxation times—all properties that drive decisions in chemistry, materials science, and pharma—emerge from the unitary time evolution of the spin Hamiltonian. If a quantum processor can propagate that Hamiltonian accurately, it can reproduce data that the market already understands, giving NMR an immediate path from algorithmic progress to economic value.
To accelerate that progress, we are making our NMR parameters available through HQS Spectrum Tools, the NMR analysis module of HQStage. Within this suite, HQS NMR converts a given Hamiltonian into its frequency‑domain spectrum, while the HQS NMR Database supplies field‑dependent chemical shifts and J‑couplings extracted from real molecules and materials. Everything is delivered in Struqture format, which our solvers accept out of the box and which remains portable and easy to translate to other community codes. With a single call, an algorithm designer can fetch a Hamiltonian for a specified magnetic field, determine how to compile it to today’s hardware, and compare the simulated spectrum against the reference generated by HQS NMR.
Free license
Get a free license for 6 months, extendable once by 6 months on request.
Keep any Hamiltonians you stored yourself—forever.
Get started: Links, Tutorials and Documentations
Getting started is straightforward. Launch the example notebooks on GitHub at https://github.com/HQSquantumsimulations/hqstage-examples.
HQS Cloud: Register on HQS Cloud to run HQStage directly in a browser‑based Jupyter Notebook or install locally via the same portal.
A short YouTube tutorial walks through cloud registration and installing HQStage step by step.
Follow us on our Youtube Channel for more Tutorials and insights on our Software.
The main HQStage documentation is available at https://docs.cloud.quantumsimulations.de/introduction.html, while the HQS Spectrum Tools documentation is at https://docs.cloud.quantumsimulations.de/hqs-spectrum-tools/index.html.
If you are interested in the Struqture format itself, start here: https://hqsquantumsimulations.github.io/struqture/introduction.html.
Free Webinar
To help you accelerate your first results, join our webinar for a live, hands‑on introduction to running NMR use cases with HQS Spectrum Tools:
Quantum Simulation Use Case: NMR
Wednesday, October 22, 2025 at 4:30 p.m. CEST (UTC+2)
live on Zoom
We will show a live demo fetching curated NMR spin Hamiltonians in Struqture format from the new database in seconds, guide you through the first calculations step by step in a cloud Jupyter Notebook or a local installation, and cover setup with a live Q&A so you can continue on your own after the session.
The session is ideal for hands‑on participants with an HQS Cloud account and the free Spectrum Tools license who want to follow along live and replicate the workflow, as well as for curious observers who prefer to watch the demo and explore later at their own pace.
