4 papers
Quantum-centric Supercomputing for Materials Science: A Perspective on Challenges and Future Directions
Yuri Alexeev, Maximilian Amsler, Paul Baity +124
Computational models are an essential tool for the design, characterization, and discovery of novel materials. Hard computational tasks in materials science stretch the limits of e…
Generating Approximate Ground States of Strongly Correlated Quantum Many-Body Systems Through Quantum Imaginary Time Evolution
Michael P. Kaicher, Florian Dommert, Christopher Wever +2
Most quantum algorithms designed to generate or probe properties of the ground state of a quantum many-body system require as input an initial state with a large overlap with the d…
OnionVQE Optimization Strategy for Ground State Preparation on NISQ Devices
Katerina Gratsea, Johannes Selisko, Maximilian Amsler +3
The Variational Quantum Eigensolver (VQE) is one of the most promising and widely used algorithms for exploiting the capabilities of current Noisy Intermediate-Scale Quantum (NISQ)…
Dynamical Mean Field Theory for Real Materials on a Quantum Computer
Johannes Selisko, Maximilian Amsler, Christopher Wever +6
Quantum computers (QC) could harbor the potential to significantly advance materials simulations, particularly at the atomistic scale involving strongly correlated fermionic system…