4 papers
System-bath model for quantum chemistry
Dmitry S. Golubev, Reza G. Shirazi, Vladimir V. Rybkin +3
We propose an approximate mapping of a molecular Hamiltonian to a Hamiltonian of qubits, which allows for high accuracy quantum chemistry calculations of vertical excitation energi…
Can a Quantum Computer Simulate Nuclear Magnetic Resonance Spectra Better than a Classical One?
Keith R. Fratus, Nicklas Enenkel, Sebastian Zanker +3
The simulation of the spectra measured in nuclear magnetic resonance (NMR) spectroscopy experiments is a computationally non-trivial problem which, due to its natural interpretatio…
What is a good use case for quantum computers?
Michael Marthaler, Peter Pinski, Vladimir Rybkin +3
Identify, Transform, Benchmark, Show Quantum Advantage (ITBQ): Evaluating use cases for quantum computers. We introduce a four-step framework for assessing quantum computing applic…
A method to derive material-specific spin-bath model descriptions of materials displaying prevalent spin physics
Benedikt M. Schoenauer, Nicklas Enenkel, Florian G. Eich +4
Magnetism and spin physics are true quantum mechanical effects and their description usually requires multi reference methods and is often hidden in the standard description of mol…