HQS Quantum Simulations

YouTube video by HQS Quantum Simulations Electron Spectroscopy Meets Quantum Computing: Peaks, Theory, and Transitions

Check out this recorded talk from our November workshop to discover the fascinating intersection of electron spectroscopy and quantum computing: www.youtube.com/watch?v=xnLD...

To simulate NMR spectra of organic molecules such as propofol, conformer sampling is crucial. Our conformer post-processing improves automatic treatment of degenerate structures, producing spectra that better match experimental results by Merck KGaA, Darmstadt, Germany.

NMR analysis on a new level: We’re launching HQSpectrum at the end of February—and #analytica 2026 will be the first trade show where you can see it live. Until then, check out the trial version: cloud.quantumsimulations.de/hqspectrum/t...

What does it take for a quantum computing use case to be more than a slide-deck promise? Check out this recorded talk from HQS CEO Dr. Michael Marthaler: www.youtube.com/watch?v=0141...

Here is our workflow to align the NMR simulation as closely as possible with the experimental results: 1. theoretical prediction, 2. global shift (referencing), and finally, 3. 'shifting the shifts' to adjust individual peaks, which can be done either manually or automatically.

YouTube video by HQS Quantum Simulations Meet HQS Quantum Simulations | Our Founders’ Story

This is how our story has shaped our mission: www.youtube.com/watch?v=w6Gf...

By employing our 'clustering' method to simulate the NMR spectrum of Friedelin (50 spins) and using 'Shifting-the-shifts' from HQSpectrum to align the predicted NMR spectrum with the measured one, we achieve stunning agreement: cloud.quantumsimulations.de/hqspectrum/t....

The NMR spectroscopy measurements can shift from one measurement to another due to experimental conditions. This is why our concept of 'shifting-the-shifts' in HQSpectrum is essential for you: cloud.quantumsimulations.de/hqspectrum/t...

Friedelin is a chemical compound with a spin Hamiltonian that includes 50 spins. Why does our software find it relatively easy to determine its nuclear magnetic resonance spectroscopy using classical computers? Check out cloud.quantumsimulations.de/hqspectrum/t...

We are excited to be among the first users, accessing the Qsolid Quantum Computer via Jülich Supercomputing Centre’s infrastructure. Read more here: www.q-solid.de/news/milesto...