A Practical Introduction to VQE: Methods, Challenges, and Applications in Physics and Chemistry

Jannis Ehrlich; Felix Rupprecht; Konstantin Lamp; Elias Walter; Alejandro D. Somoza; Manuel Enns; Christian Elsässer; Birger Horstmann; Daniel F. Urban

arXiv · 2610.06448

A Practical Introduction to VQE: Methods, Challenges, and Applications in Physics and Chemistry

Jannis Ehrlich·Felix Rupprecht·Konstantin Lamp·Elias Walter·Alejandro D. Somoza·Manuel Enns·Christian Elsässer·Birger Horstmann·Daniel F. Urban

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Abstract

The Variational Quantum Eigensolver (VQE) has become a central hybrid quantum-classical method for addressing electronic structure and materials science problems on near-term quantum hardware. As researchers across physics, chemistry, and quantum information engage with VQE, they encounter a wide range of algorithmic choices, including problem encoding, ansatz construction, classical optimization, and measurement strategies to choose from. This article provides a structured overview of these components and discusses practical factors that influence VQE performance in real settings, such as noise characteristics, available error-mitigation techniques, and hardware-dependent circuit considerations. Drawing partly on our early experiences, we highlight aspects that may be especially relevant for newcomers and outline common challenges observed in practical workflows. Our aim is to offer an accessible entry point for researchers approaching VQE-based quantum simulation and to support informed decision-making as the method and underlying hardware continue to evolve, which we support by discussion of examples from physics and quantum chemistry.

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Jannis Ehrlich, Felix Rupprecht, Konstantin Lamp, Elias Walter, Alejandro D. Somoza, Manuel Enns, Christian Elsässer, Birger Horstmann, Daniel F. Urban. 2026-10-05. A Practical Introduction to VQE: Methods, Challenges, and Applications in Physics and Chemistry. https://arxiv.org/abs/2610.06448

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