HQS Quantum Simulations

Quantum computing is moving from theory to real-world impact. Proud to be part of QPolyDeg with Fraunhofer IAF, Capgemini Engineering, Fraunhofer IWM, Airbus, and Akzo Nobel. Read the full press release: iaf.fraunhofer.de/en/media-libra…

With HQSpectrum, experimental NMR spectra can be imported seamlessly, enabling effortless comparison with physics-based predictions derived from ab initio and DFT simulations, while facilitating further analysis such as handling solvent, reference, and impurity peaks.

🚀 Join our Webinar: Turning Complex Spectroscopy Data into Usable Knowledge 📅 Date: 19th May 2026 🕓 Time: 4:00 - 5:30 p.m. CET 🔗 Register here: forms.cloud.quantumsimulations.de/hqs-webinar-us… Don't miss out on this opportunity to enhance your understanding!

Inspired by the Random Phase Approximation method, our recent article demonstrates how to map molecular problems onto quantum hardware without the need to brute-force the entire Hilbert space: arxiv.org/abs/2603.09631.

Unlocking quantum computing's potential requires more than hardware; it needs real-world applications like spectroscopy. Our HQS Qorrelator App and HQSpectrum are bridging quantum hardware with industrial value.

Theoretical simulations are essential for enhancing the insights we obtain from electronic spectroscopy, given its extensive range of applications. This serves as the driving force behind our research endeavors. Check out the full lecture here: youtube.com/watch?v=xnLD5N…

On May 19th, HQS is hosting a webinar focused on extracting structured, reusable knowledge from data. This includes exploring how tools like HQSpectrum can assist with complex systems and challenging tasks such as impurity analysis. Register here: forms.cloud.quantumsimulations.de/hqs-webinar-us…

When ratios matter, quantitative NMR is a key solution for mixture analysis. Let us examine how the ¹H NMR spectrum at 500 MHz changes from pure propanol through various concentration ratios to pure butanol. This illustrates an important challenge in qNMR: spectral overlap.

We’ve successfully computed NMR parameters for over 10,000 molecules, putting our task infrastructure to the ultimate test! 🚀 Curious about how we achieved this? Dive into our workflow in this insightful talk: youtube.com/watch?v=eI0S40…

Proud to be at Hannover Messe, where quantum meets industry! Our CEO, Michael Marthaler, is on-site to discuss quantum simulation software for chemistry and materials science. Visit us at Hall 11, Stand B25. More info: hannovermesse.de

This figure highlights why NMR is such a compelling application: it combines structure determination and mixture analysis in one workflow and shows that even molecules with the same molecular formula can yield clearly distinct spectra. Check out arxiv.org/abs/2506.15426

We built a classical NMR solver that scales linearly with molecule size and then asked whether a quantum computer could do better. For most standard NMR experiments? Probably not. Check out youtube.com/watch?v=F9WXjo…

Today is the final day of the event at Analytica 2026! Stop by our Booth 509 in Hall A2 to meet the team, explore HQSpectrum, and say hello.

We're on-site at Analytica 2026! Come by Booth 509 in Hall A2 to meet our team, check out HQSpectrum, and say hi! 👋

Excited to be part of Structure 2026: Automated Interpretation of Spectroscopy Data! 🎉 Our colleagues, Dr. Sonia Álvarez Barcia and Dr. Alexander Zech, will be presenting a poster. You can find more details here: rsc.org/events/detail/…

HQSpectrum facilitates your workflow from molecule selection to NMR spectrum calculation in just a few simple steps.

You can meet us at the analytica 2026

Two Alcohols, One Spectrum: NMR analysis of a mixture of ethanol and 2-propanol reveals characteristic regions of the spectrum corresponding to each component. However, the analysis becomes more complex in regions where the signals overlap.

Our colleague Julius B. Kleine Büning will be presenting at this year’s conference on 'Praktische Probleme der NMR-Spektroskopie,' which will take place on March 17 and 18, 2026, at the University of Göttingen: ppnmr.pages.gitlab.rlp.net/ppnmr-abstract…

We are proud sponsors of PPNMR 2026. Supporting a community-driven conference that brings together experts from academia and industry is something we truly value. Source: uni-goettingen.de/de/702436.html