Registration is now open for the Quantum Frontiers in NMR Summit 2026. Taking place November 17 to 19, 2026 in Karlsruhe, Germany. The summit brings together NMR specialists and quantum computing experts to discuss where and how quantum computing will give NMR a real advantage. Keynote sessions, live discussions, and a networking evening with some of the leading researchers and industry professionals in the field. Early Bird Tickets are available at 100 EUR (net) until August 31, 2026 and seats are strictly limited, so register now to secure your spot.

Academic researchers get 50% off HQSpectrum.

If you are a member of an academic institution and use HQSpectrum primarily for academic purposes, you qualify for a 50% discount on any subscription plan. Proof of academic affiliation is required.

HQSpectrum is a browser-based NMR analysis platform that takes you from molecular structure to verified result — predict, adjust, verify, and export a traceable report in minutes.

To apply, get in touch with us directly at hqspectrum@quantumsimulations.de.

Not ready to commit yet? The free trial gives you full access for one month with 1,000 tokens and no commitment required.
Start with the free trial:
https://hqspectrum.cloud.quantumsimulations.de/app/trial

Still exploring HQSpectrum? Share it with a colleague and get another month free.
Send this link to a fellow student or lab mate: https://hqspectrum.cloud.quantumsimulations.de/app/trial

Here is how it works: Invite a friend to try HQSpectrum. Once they sign up for the free trial or any plan, send us their name at hqspectrum@quantumsimulations.de. We will extend your account by one additional month with 1,000 tokens and full access.

This offer is available to enrolled students only. Try HQSpectrum together and see what it can do for your lab.

For molecules with exchangeable protons, such as ethanol, the calculated NMR parameters often include all protons by default.
In practice, these protons exchange with the solvent and do not appear in the experimental spectrum. You can now select which protons to include in the prediction.
This brings the simulated spectrum closer to what you actually measure in the lab and improves the fit between prediction and experiment.
Try it yourself. Start the Free Trial.

A few useful additions went live in the latest HQSpectrum release.
First, there is a new structure elucidation workflow. You can now draw, insert, or select multiple candidate molecules and compare their predicted spectra against one experimental spectrum to see which structure fits best. Read on to find out about all the other new features.

HQS Quantum Simulations introduces HQSpectrum, the first full version of its software for predicting and analyzing Nuclear Magnetic Resonance (NMR) spectra, designed to reduce manual effort in NMR analysis and to improve traceability. Users can preprocess experimental spectra, compare them against computed spectra, adjust results interactively, and export documentation-ready reports.

2025 got off to a spectacular start for HQS Quantum Simulations: the year began with our EIC Transition success, setting the tone for twelve months focused on scaling impact, expanding ready‑to‑use workflows, and strengthening collaborations that bring quantum methods for spectroscopy closer to real‑world use.

HQS Quantum Simulations is pleased to announce that its management team has grown. Dr Nicolas Vogt, previously Head of Quantum Computing, has been appointed Chief Innovation Officer.
In his new role, Dr Vogt will focus on exploring new application areas and developing prototypes that will later be integrated into the HQSpectrum product line.

The position is designed to sit at the intersection of cutting edge research and product development, ensuring that novel concepts in spectroscopy and quantum technologies are translated quickly into solutions for customers.

Quantum simulation is rapidly reshaping electron spectroscopy. By mapping complex many-body problems onto compact quantum models, researchers can estimate excitation energies and singlet–triplet gaps using smaller circuit footprints, bringing previously computationally challenging observables within the reach of today's and tomorrow's quantum hardware.

HQS Quantum Simulations is making new Electron Spectroscopy use cases available on the HQS Cloud together with a complimentary 6‑month license of the HQStage module HQS Quantum Solver for evaluation.

HQS Quantum Simulations has been selected as a semifinalist in XPRIZE Quantum Applications – a global competition designed to catalyze practical quantum‑computing algorithms that address real‑world challenges. From 133 submissions across 31 countries, 20 teams were recognized by an independent judging panel for the plausibility and quality of their ideas and for independently validated progress toward real‑world impact. Notably, half of the Semifinalists proposed genuinely new algorithms—an uncommon achievement in the field—while teams collectively target 11 societal challenges, including clean energy, climate adaptation, and public health, directly advancing the UN Sustainable Development Goals.

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. Find all links to tutorials, documentation, and cloud access here.
And register for our webinar to help you get started and gain a deep insight into HQS Spectrum Tools.

We are thrilled to announce the official release of Version 1.0 of our HQStage Quantum Simulation and Quantum Computing Toolkit!

All modules have now achieved Version 1.0, which means

• guaranteed stability,

• sleeker interfaces,

• and significantly improved user experience.

HQS Quantum Simulations has been awarded to support for the sensor project QCOptSens | CrossCompiler. HQS will develop a cross-compiler for the automated transformation of a machine learning problem for optical sensing into a QML pipeline. The subcontractors are the Fraunhofer Institutes for Industrial Engineering IAO and for Manufacturing Engineering and Automation IPA.

HQS Quantum Simulation is receiving a grant of~ 2.5 million euros from the Europe-an Innovation Council (EIC) as part of the EIC Transition Program. HQS convinced with the project “Next-Gen NMR Prediction and Analysis: A Cutting-Edge Tool for High-Precision Structure Identification” (in short HQS-NextNMR). This funding paves the way for a broader application of NMR spectroscopy and opens avenues for its use in personalized medicine.

As we approach the end of 2024, we reflect with gratitude on an incredible year shaped by shared achievements and meaningful collaborations. Together with our partners and customers, we’ve been fortunate to work on fascinating commissions and pioneering research projects that push the boundaries of innovation.

Thank you for being an integral part of this journey. We invite you to explore the key milestones and highlights of this year below, showcasing the incredible projects we’ve accomplished together.

In the QSolid collaborative project, Forschungszentrum Jülich and its partners have started operating the first prototype of a quantum computer with optimised qubit quality. It forms the basis of a future quantum computer being developed in Germany using superconducting qubits, which will be able to perform complex calculations for industry and research.

The DLR QCI put out a call for tenders to find support for the QuantiCoM materials research project at the DLR Institute of Materials Research: The contract has now been awarded to HQS Quantum Simulations.

The QuantiCoM project aims to enhance materials research by integrating quantum machine learning (QML) with traditional data-based methods to predict and optimize the properties of alloys.

Join our informative webinar “Maximizing the Use for Quantum Simulation through AI Assistance for Model Building”, where we will introduce the innovative HQS Modeling Assistant.

Webinar: Maximizing the Use for Quantum Simulation through AI Assistance for Model Building

Date: Wednesday, November 13, 2024
Time: 15:30 – 17:00 CET

Artificial intelligence will make our work much easier. Minimizing errors and saving time are crucial factors to improve research, development and analysis in many areas. As a provider of quantum simulation software, we have developed an assistant that makes it easier for engineers and scientists to work with scientific software.

HQS is excited to announce our upcoming webinar on "Non-Unitary Gates in Quantum Algorithms: Overcoming the Barren Plateau Problem." This insightful webinar will delve into the theoretical foundation behind our innovative software, HQStage, and explore how non-unitary gates can effectively tackle the challenges of optimizing parameterized quantum circuits.

The barren plateau problem has long been a major challenge in quantum machine learning and optimization. At HQS, we have implemented a groundbreaking approach to overcome this obstacle using our powerful HQStage software. By leveraging non-unitary gates, we have reshaped the training landscape, enabling more effective convergence and unlocking the full potential of quantum simulation and other applications for quantum computers.

HQS Quantum Simulations is pleased to announce the release of HQS Tasks: an innovative software module of the HQStage toolkit for exploiting large amounts of computational resources with minimal effort.
“HQS Tasks opens up a world of computing resources without having to worry about setup," says Sebastian Lehmann, head of development for HQS Tasks. “HQS Tasks users do not need their own computing resources. They can specify the hardware resources they need to run their tasks, although HQS provides optimal default values.”
One of the key features of HQS Tasks is its seamless integration with Python, allowing users to stay in their favorite Jupyter notebook environment while accessing our tasks. The principle of detached sending and retrieving of results ensures that users can comfortably continue their workflow at their own pace.

HQS Quantum Simulations (HQS) announces the release of an update to its open-source tool, the Active Space Finder (ASF). Developed in collaboration with Covestro, a global player in the field of polymer materials, this update aims to enhance chemical simulations by simplifying the selection of active spaces in molecules.

Selecting the appropriate set of active orbitals can be a complex task that requires significant expertise. Recognizing this challenge, HQS and Covestro have been working together since 2020 to develop a tool that makes such calculations easier and more accessible to both expert and non-expert users. The initial version of the ASF has been available on GitHub since 2021, and users can now download the improved version.

HQS Quantum Simulations offers a comprehensive webinar series introducing the newly launched HQStage software toolkit, exploring current applications in quantum computing. The HQStage webinar series starts with one-hour sessions on installation, feature exploration, and practical use cases. We also cover features from scientific papers on NMR and algorithmic cooling. This is followed by in-depth webinars on advanced topics like non-unitary gates in quantum algorithms and AI for quantum simulation. Find out more about joining these free webinars.

HQS Quantum Simulations proudly presents HQStage, a powerful modular cloud-supported toolkit designed to meet the simulation needs of developers and researchers in quantum physics and chemistry. HQStage offers 10 powerful simulation modules, intuitive management tools and the flexibility to combine local and cloud computing.

The Leibniz Supercomputing Centre (LRZ) has recently installed the HQS Noise App from HQS Quantum Simulations, a significant milestone in their collaborative efforts to advance quantum computing technology. This installation is a key component of the Q-Exa project, where LRZ and HQS aim to explore the intricate details of quantum computing and accelerate the development of quantum computing applications for various companies and researchers. To meet the objectives of the Q-Exa project, the HQS Noise App underwent significant enhancements. These enhancements were carefully designed to align the app's capabilities with the project's goals. After rigorous development and testing, the final version of the app has been successfully delivered. LRZ and HQS are delighted to announce a joint workshop to showcase the latest iteration of the HQS Noise App.

HQS Quantum Simulations (HQS), a quantum startup from Karlsruhe, is supporting the QRydDemo project on behalf of the University of Stuttgart by developing a special compiler. The QRydDemo project is building a quantum computer based on neutral atoms. The compiler developed by HQS is specifically tailored to the unique features of this quantum computer. HQS will continue its support for the project, initiated in 2021 and scheduled to run until January 2025, and will improve the compiler further.

As part of the AutoQML project on behalf of Fraunhofer IPA, HQS has developed a robust software library, the AutoSelectionBackend, which enables the automatic transpilation of quantum machine learning circuits. To simplify and optimize the development of QML solutions in an industrial context, the AutoQML project, led by Fraunhofer IAO, aims to integrate quantum components into the field of automated machine learning (AutoML). The library has been successfully integrated into the AutoQML framework and is now available as an open-source solution on the PlanQK platform.

As the year ends, we take this opportunity to reflect on a year filled with events and successes and provide a glimpse into exciting developments for the coming year. The year began for us with a move to a larger, modern office building, where we found it easy to settle in - off to a good start to a successful year:

HQS Quantum Simulations provides setups for simulating chemical systems such as metal-organic frameworks (MOFs) on quantum computers on behalf of Fraunhofer IAF and ICT. The QC-4-BW project is developing a diamond-based quantum processor. Its performance will be evaluated using quantum chemical calculations.

HQS Quantum Simulations GmbH is proud to announce the delivery of a specialized quantum simulation software package to the DLR Institute. The order was placed as part of the DLR Quantum Computing Initiative. In particular, the simulation of material properties and the analysis of material dynamics on quantum computers is of great interest to industry. This requires the development of customized compilation strategies and quantum algorithms in hardware-software co-design for current quantum computers of the NISQ era. Successful collaboration on this challenge represents a major advance in the benefits of quantum technology for industrial end users.

We are excited to announce our presence at SC23, a prestigious high-performance computing event taking place from 12-17 November 2023 in Denver, Colorado. This year HQS launched several cutting-edge software applications poised to revolutionize the chemical and pharmaceutical industries. We look forward to welcoming you to Booth 975, where you can explore our software solutions and learn more about our recent activities. Here's a brief overview of what to expect: