From July 26 to August 1, 2026, the 11th FQMT Conference – Frontiers of Quantum and Mesoscopic Thermodynamics will take place in Prague, Czech Republic. The conference brings together international researchers to discuss current questions at the intersection of quantum physics, mesoscopics, and thermodynamics. HQS Quantum Simulations will be represented on site by Dr. Peter Schmitteckert and looks forward to the scientific exchange.

Talk: NMR — From Strong Correlation to Life Sciences
Dr. Peter Schmitteckert walks through the HQS approach to NMR simulation: starting from a SMILES string or molecule name, determining the 3D structure, averaging over conformers and rotamers, and deriving the NMR spin Hamiltonian. The Hamiltonian is a Heisenberg model with site-dependent magnetic fields representing chemical shifts. Although it is strongly correlated, the NMR spectral functions can be computed efficiently using a clustering approach, enabled by the large gyromagnetic ratios of the relevant nuclei. The talk also covers automatic adaptation of NMR parameters to experimental data and how the resulting reference parameters are used to extract compound concentrations from mixture spectra, with applications in metabolomics such as urine and blood analysis.

July 31, 10:10, Location: Pyramida Hotel Lecture Hall A