most citedQuantum-centric Supercomputing for Materials Science: A Perspective on Challenges and Future Directions

85 citations · 92 across the 5 of their papers we have counts for

collaborators

5 papers

quant-ph2024

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…

quant-ph2024★ 1 cited

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)…

cond-mat.str-el2024★ 1 cited

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…

quant-ph2023★ 85 cited

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…

quant-ph2023★ 5 cited

Quantum-enhanced quantum Monte Carlo: an industrial view

Maximilian Amsler, Peter Deglmann, Matthias Degroote +10

In this work, we test a recently developed method to enhance classical auxiliary-field quantum Monte Carlo (AFQMC) calculations with quantum computers against examples from chemist…