Related papers: Investigating Different Barren Plateaus Mitigation…
The variational quantum eigensolver (VQE) is one of the most appealing quantum algorithms to simulate electronic structure properties of molecules on near-term noisy intermediate-scale quantum devices. In this work, we generalize the VQE…
The adaptive derivative-assembled problem-tailored variational quantum eigensolver (ADAPT-VQE) provides a promising approach for simulating highly correlated quantum systems on quantum devices, as it strikes a balance between hardware…
Extracting eigenvalues and eigenvectors of exponentially large matrices will be an important application of near-term quantum computers. The Variational Quantum Eigensolver (VQE) treats the case when the matrix is a Hamiltonian. Here, we…
We provide an integration of the universal, perturbative explicitly correlated [2]$_\text{R12}$-correction in the context of the Variational Quantum Eigensolver (VQE). This approach is able to increase the accuracy of the underlying…
While quantum computing algorithms have been widely applied for electronic structure calculations, applications to molecular dynamics remain scarce. Complex and varied landscapes of molecular potential energy surfaces give rise to…
We propose a variational quantum eigensolver (VQE) algorithm that uses a fault-tolerant gate-set, and is hence suitable for implementation on a future error-corrected quantum computer. VQE quantum circuits are typically designed for…
Barren plateaus are a notorious problem in the optimization of variational quantum algorithms and pose a critical obstacle in the quest for more efficient quantum machine learning algorithms. Many potential reasons for barren plateaus have…
Quantum systems have historically been formidable to simulate using classical computational methods, particularly as the system size grows. In recent years, advancements in quantum computing technology have offered new opportunities for…
Quantum spin systems may offer the first opportunities for beyond-classical quantum computations of scientific interest. While general quantum simulation algorithms likely require error-corrected qubits, there may be applications of…
The variational quantum eigensolver (VQE) is one of the most prominent algorithms using near-term quantum devices, designed to find the ground state of a Hamiltonian. In VQE, a classical optimizer iteratively updates the parameters in the…
This thesis investigates sampling-based quantum algorithms for electronic ground state energy estimation, focusing on Quantum-Selected Configuration Interaction (QSCI) and Sample-Based Quantum Diagonalization (SQD) as near-term alternatives…
We present a variational quantum eigensolver (VQE) approach for solving the Anderson Impurity Model (AIM) arising in Dynamical Mean-Field Theory (DMFT). Recognizing that the minimal two-site approximation often fails to resolve essential…
Barren plateau landscapes correspond to gradients that vanish exponentially in the number of qubits. Such landscapes have been demonstrated for variational quantum algorithms and quantum neural networks with either deep circuits or global…
The variational quantum eigensolver (VQE) is one of the most promising algorithms to find eigenvalues and eigenvectors of a given Hamiltonian on noisy intermediate-scale quantum (NISQ) devices. A particular application is to obtain ground…
The variational quantum eigensolver (VQE), a type of variational quantum algorithm, is a hybrid quantum-classical algorithm to find the lowest-energy eigenstate of a particular Hamiltonian. We investigate ways to optimize the VQE solving…
Variational quantum eigensolvers (VQE) are among the most promising approaches for solving electronic structure problems on near-term quantum computers. A critical challenge for VQE in practice is that one needs to strike a balance between…
Variational quantum algorithms (VQAs) are among the most promising algorithms in the era of Noisy Intermediate Scale Quantum Devices. Such algorithms are constructed using a parameterization U($\pmb{\theta}$) with a classical optimizer that…
ADAPT-VQE is one of the leading VQE algorithms which circumvents the choice-of-ansatz conundrum by iteratively growing compact and arbitrarily accurate problem-tailored ans\"atze. However, for hardware-efficient operator pools, the…
Variational quantum algorithms (VQAs) represent a promising approach to utilizing current quantum computing infrastructures. VQAs are based on a parameterized quantum circuit optimized in a closed loop via a classical algorithm. This hybrid…
Variational quantum algorithms rely on gradient based optimization to iteratively minimize a cost function evaluated by measuring output(s) of a quantum processor. A barren plateau is the phenomenon of exponentially vanishing gradients in…