Exploring Noise Impact on Variational Quantum Eigensolvers

Variational Quantum Eigensolvers (VQEs) have emerged as promising algorithms for solving molecular electronic Hamiltonians using quantum computers. Its efficiency in terms of qubit and circuit depth requirements positions VQE as one of the most interesting algorithms to be used in the current Noisy Intermediate-Scale Quantum (NISQ) hardware. However, the accuracy of results is dependent on various parameters, including the number of shots, qubit mappings, and the influence of quantum noise.

This project aims to explore the representation of the molecular electronic Hamiltonian in a quantum circuit, to understand the basic properties of VQE and to modulate noise (decoherence and measurement errors) in quantum devices and its potential effects on the performance of quantum algorithms. For that, the student will use Quantum simulators such as Qiskit to determine the impact of noise on key outcomes like energy values, quantum fidelity, and other wave function properties for prototypical small molecules. Finally, potential strategies for mitigating noise effects in VQE will be explored.

The candidate should have good knowledge of quantum mechanics and electronic structure theory of molecules (assumed in chemistry and physics BSc. students) and advanced level skills on scientific coding (preferably Python). Experience with quantum simulators, e.g., Qiskit, will be also considered.