7 papers
Simulating Electron Transfer on Noisy Quantum Computers
Marvin Gajewski, Alejandro D. Somoza, Gary Schmiedinghoff +3
While simple spin-boson models have been realized on quantum hardware, simulating extended electronic networks with local vibrational environments remains a fundamental challenge i…
Beyond Unitary Quantum Simulation: Open-System Approaches to Quantum Chemistry toward Quantum Advantage
Michael Marthaler, Elias Zapusek, Florentin Reiter
Quantum simulation is widely regarded as one of the most promising routes to genuine quantum advantage, yet most existing approaches to quantum chemistry are formulated in terms of…
Quantum Simulation of Magnetic Materials: from Ab-Initio to NISQ
Pascal Stadler, Florian G. Eich, Benedikt M. Schoenauer +5
Quantum computers are increasingly accessible, yet demonstrations of physically meaningful simulations for real materials remain scarce. In our work we simulate low-energy magnetic…
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…