Related papers: The advent of fully variational quantum eigensolve…
We design a variational quantum algorithm to solve multi-dimensional Poisson equations with mixed boundary conditions that are typically required in various fields of computational science. Employing an objective function that is formulated…
We present quantum algorithms, for Hamiltonians of linear combinations of local unitary operators, for Hamiltonian matrix-vector products and for preconditioning with the inverse of shifted reduced Hamiltonian operator that contributes to…
This thesis explores the application of the Symmetry-Breaking/Symmetry-Restoration methodology on quantum computers to better approximate a Hamiltonian's ground state energy within a variational framework in many-body physics. This involves…
Most non-relativistic interacting quantum many-body systems, such as atomic and molecular ensembles or materials, are naturally described in terms of continuous-space Hamiltonians. The simulation of their ground-state properties on digital…
Variational quantum algorithms have emerged as a powerful tool for harnessing the potential of near-term quantum devices to address complex challenges across quantum science and technology. Yet, the robust and scalable quantification of…
Variational quantum algorithms (VQA) are considered as some of the most promising methods to determine the properties of complex strongly correlated quantum many-body systems, especially from the perspective of devices available in the near…
Quantum computing has recently been emerging in theoretical chemistry as a realistic avenue meant to offer computational speedup to challenging eigenproblems in the context of strongly-correlated molecular systems or extended materials.…
A local and distributive algorithm is proposed to find an optimal trial wave-function minimizing the Hamiltonian expectation in a quantum system. To this end, the quantum state of the system is connected to the Gibbs state of a classical…
We present the application of the variational-wavelet analysis to the analysis of quantum ensembles in Wigner framework. (Naive) deformation quantization, the multiresolution representations and the variational approach are the key points.…
Electric fields, applied to insulators, cause transitions between valence and conduction bands, giving rise to current. Adjustments of the Hamiltonian can perfect the quality of the insulator, shutting down transitions whilst fully…
The last several decades have seen significant advances in the theoretical modeling of materials within the fields of solid-state physics and materials science, but many methods commonly applied to this problem struggle to capture strong…
Quantum algorithms have been developed for efficiently solving linear algebra tasks. However, they generally require deep circuits and hence universal fault-tolerant quantum computers. In this work, we propose variational algorithms for…
Assemblies of strongly interacting fermions, whether in a condensed-matter or a quantum chemistry context, range amongst the most promising candidate systems for which quantum computing platforms could provide an advantage. Near-term…
In this article, we introduce an original hybrid quantum-classical algorithm based on a variational quantum algorithm for solving systems of differential equations. The algorithm relies on a spectral decomposition of the trial functions…
We propose a system-oriented basis-set design based on even-tempered basis functions to variationally encode electronic ground-state information into molecular orbitals. First, we introduce a reduced formalism of concentric even-tempered…
Quantum algorithms are of great interest for their possible use in optimization problems. In particular, variational algorithms that use classical counterparts to optimize parameters hold promise for use in currently existing devices.…
We present a generalization of the variational principle that is compatible with any Hamiltonian eigenstate that can be specified uniquely by a list of properties. This variational principle appears to be compatible with a wide range of…
We consider a fully quadratic vibronic model Hamiltonian for studying photoinduced electronic transitions through conical intersections. Using a second order perturbative approximation for diabatic couplings we derive an analytical…
Reducing the complexity of quantum algorithms to treat quantum chemistry problems is essential to demonstrate an eventual quantum advantage of Noisy-Intermediate Scale Quantum (NISQ) devices over their classical counterpart. Significant…
A recent development in quantum chemistry has established the quantum mutual information between orbitals as a major descriptor of electronic structure. This has already facilitated remarkable improvements of numerical methods and may lead…