Related papers: Quantum embedding for molecules using auxiliary pa…

Physical systems made of many interacting quantum particles can often be described by Euler hydrodynamic equations in the limit of long wavelengths and low frequencies. Recently such a classical hydrodynamic framework, now dubbed…

Quantum correlations become formidable tools for beating classical capacities of measurement. Preserving these advantages in practical systems, where experimental imperfections are unavoidable, is a challenge of the utmost importance. Here…

A quantum impurity attached to an interacting quantum wire gives rise to an array of of new phenomena. Using Bethe Ansatz we solve exactly models describing two geometries of a quantum dot coupled to an interacting quantum wire: a quantum…

Here, we calculate and study correlations of the Dicke model in the presence of qubit-qubit interaction. Whereas the analysis of correlations among its subsystems is essential for the understanding of corresponding critical phenomena and…

Simulating molecules using the Variational Quantum Eigensolver method is one of the promising applications for NISQ-era quantum computers. Designing an efficient ansatz to represent the electronic wave function is crucial in such…

Quantum entanglement is a concept commonly used with reference to the existence of certain correlations in quantum systems that have no classical interpretation. It is a useful resource to enhance the mutual information of memory channels…

Quantifying quantum entanglement is a pivotal challenge in quantum information science, particularly for high-dimensional systems, due to its computational complexity. This thesis extends the geometric measure of entanglement (GME) to…

Characterizing entanglement of systems composed of multiple particles is a very complex problem that is attracting increasing attention across different disciplines related to quantum physics. The task becomes even more complex when the…

The Variational Quantum Eigensolver (VQE) is a promising tool for simulating ground states of quantum many-body systems on noisy quantum computers. Its effectiveness relies heavily on the ansatz, which must be both hardware-efficient for…

The emerging field of quantum simulation of many-body systems is widely recognized as a very important application of quantum computing. A crucial step towards its realization in the context of many-electron systems requires a rigorous…

Accurate many-body treatments of condensed-phase systems are challenging because correlated solvers such as full configuration interaction (FCI) and the density matrix renormalization group (DMRG) scale exponentially with system size.…

The opportunities afforded by near-term quantum computers to calculate the ground-state properties of small molecules depend on the structure of the computational ansatz as well as the errors induced by device noise. Here we investigate the…

Learning from data has led to a paradigm shift in computational materials science. In particular, it has been shown that neural networks can learn the potential energy surface and interatomic forces through examples, thus bypassing the…

Extracting the Hamiltonian of interacting quantum-information processing systems is a keystone problem in the realization of complex phenomena and large-scale quantum computers. The remarkable growth of the field increasingly requires…

One of the primary challenges in quantum chemistry is the accurate modeling of strong electron correlation. While multireference methods effectively capture such correlation, their steep scaling with system size prohibits their application…

Collective light-matter interactions have been used to control chemistry and energy transfer, yet accessible approaches that combine ab initio methodology with large many-body quantum optical systems are missing due to the fast increase in…

Gutzwiller's trace formula allows interpreting the density of states of a classically chaotic quantum system in terms of classical periodic orbits. It diverges when periodic orbits undergo bifurcations, and must be replaced with a uniform…

In recent years, molecular dynamics (MD) simulations have emerged as a pivotal tool for understanding the structure, dynamics, and phase behavior in charged soft matter systems. To explore phenomena across greater length and time scales in…

Reducing circuit depth is essential for implementing quantum simulations of electronic structure on near-term quantum devices. In this work, we propose a variational quantum eigensolver (VQE) based perturbation theory algorithm to…

Molecular fragment or embedding methods are powerful techniques for overcoming scalability limitations in electronic structure theory by dividing large molecular systems into individual units that are small enough to be treated using…