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

85 citations · 85 across the 10 of their papers we have counts for

collaborators

10 papers

quant-ph2026

Repairability of Inexact Solvers in Recursive State Estimation with Machine Learning

Yanjun Ji, Dennis Willsch, Orkun Şensebat +8

Recursive state estimation often executes approximate numerical solutions inside a feedback loop, where highly accurate local steps do not guarantee better overall results. For a f…

quant-ph2026

Separating Geometry From Interference in Constrained Quantum Optimization

Chinonso Onah, Stuart Hadfield, Kristel Michielsen

We study the separation of geometric effects from quantum interference in quantum optimization algorithms. Constrained optimization problems such as routing, assignment, and schedu…

quant-ph2026

Polynomial Time Quantum Approximation Schemes for Constrained Optimisation

Chinonso Onah, Kristel Michielsen

When does a noisy quantum sampler yield an end-to-end polynomial-time optimization algorithm with performance guarantees? Building on finite-depth and finite-shot guarantees for Co…

quant-ph2026

Resonant false vacuum decay in two dimensions on a 4000-qubit quantum annealer

Gregor Humar, Jean-Yves Desaules, Luka Pavešić +4

From cosmology to quantum matter, metastable states often decay through the nucleation and growth of competing domains, with false vacuum decay providing the paradigmatic example o…

cs.LG2026

Hybrid Quantum-Classical Corrective Diffusion Modeling for Meteorological Downscaling

Rui Wang, Edoardo Pasetto, Amer Delilbasic +3

Statistical downscaling is a crucial component of the weather modeling field, where high-resolution outputs must be reconstructed from coarse-resolution inputs with the full cost o…

quant-ph2026

Optimal, Qubit-Efficient Quantum Vehicle Routing via Colored-Permutations

Chinonso Onah, Kristel Michielsen

We formulate a global-position colored-permutation encoding for the capacitated vehicle routing problem. Each of the vehicles selects a disjoint partial permutation, and the su…

quant-ph2026

Large-Scale Quantum Circuit Simulation on an Exascale System for QPU Benchmarking

J. A. Montanez-Barrera, Kristel Michielsen

Recent advances in quantum computing have enabled the development of quantum processors with hundreds of qubits. However, noise continues to limit the amount of useful information…

quant-ph2026

Quantum annealing inspired algorithms for the NISQ Era

Rijul Sachdeva, Vrinda Mehta, Manpreet Singh Jattana +2

We study algorithms inspired by quantum annealing that are suited for the NISQ era. First, we analyze approximate quantum annealing (AQA), which employs a discretized annealing ans…

quant-ph2026

Quantum and classical approaches to the optimization of highway platooning: the two-vehicle matching problem

Chinonso Onah, Agneev Guin, Carsten Othmer +2

Aerodynamic drag reduction on highways through vehicle platooning is a well-known concept, but it has not yet seen systematic uptake, arguably because of significant technological…

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…