Related papers: Quantum embedding theories
Density functional theory (DFT) has transformed our ability to investigate and understand electronic ground states. In its original formulation, however, DFT is not suited to addressing (e.g.) degenerate ground states, mixed states with…
This paper introduces the quantum deep sets model, expanding the quantum machine learning tool-box by enabling the possibility of learning variadic functions using quantum systems. A couple of variants are presented for this model. The…
Quantum simulations of metal surfaces are critical for catalytic innovation. Yet existing methods face a cost-accuracy dilemma: density functional theory is efficient but system-dependent in accuracy, while wavefunction-based theories are…
The concept of an injective affine embedding of the quantum states into a set of classical states, i.e., into the set of the probability measures on some measurable space, as well as its relation to statistically complete observables is…
We demonstrate the existence of different density-density functionals designed to retain selected properties of the many-body ground state in a non-interacting solution starting from the standard density functional theory ground state. We…
In this work we give a comprehensive derivation of an exact and numerically feasible method to perform ab-initio calculations of quantum particles interacting with a quantized electromagnetic field. We present a hierachy of…
Measuring entanglement is a demanding task in the field of quantum computation and quantum information theory. Recently, some authors experimentally demonstrated an embedding quantum simulator, using it to efficiently measure two-qubit…
A quantum wire of uniform cross section (but with eventual disorder) with three regions: dot, left lead, and right lead, is considered. Assuming that the same unitary transformation diagonalizes all unit cells of this wire, we propose a new…
Plasmons are fundamental excitations of metals which can be described in terms of electron dynamics, or in terms of the electromagnetic fields associated with them. In this work we develop a quantum description of plasmons in a double layer…
Notions of circuit complexity and cost play a key role in quantum computing and simulation where they capture the (weighted) minimal number of gates that is required to implement a unitary. Similar notions also become increasingly prominent…
A quantum electrodynamical time-dependent density functional theory framework is applied to describe strongly coupled light--matter interactions in cavity environments. The formalism utilizes a tensor product approach, coupling real-space…
Entanglement is a special feature of the quantum world that reflects the existence of subtle, often non-local, correlations between local degrees of freedom. In topological theories such non-local correlations can be given a very intuitive…
The conventional paradigm of quantum computing is discrete: it utilizes discrete sets of gates to realize bitstring-to-bitstring mappings, some of them arguably intractable for classical computers. In parameterized quantum approaches, the…
We present a quantum computing approach to analyzing Large Language Model (LLM) embeddings, leveraging complex-valued representations and modeling semantic relationships using quantum mechanical principles. By establishing a direct mapping…
Large collections of high-dimensional data have become nearly ubiquitous across many academic fields and application domains, ranging from biology to the humanities. Since working directly with high-dimensional data poses challenges, the…
We present a formalism for coupling a density functional theory-based quantum simulation to a classical simulation for the treatment of simple metallic systems. The formalism is applicable to multiscale simulations in which the part of the…
Entanglement in high energy and and nuclear reactions is receiving great attention. A proper description of these reactions uses density matrices, and the express of entanglement in terms of {\it separability}. Quantum tomography bypasses…
Continuum solvation models are becoming increasingly relevant in condensed matter simulations, allowing to characterize materials interfaces in the presence of wet electrified environments at a reduced computational cost with respect to all…
Gate-based universal quantum computation is formulated in terms of two types of operations: local single-qubit gates, which are typically easily implementable, and two-qubit entangling gates, whose faithful implementation remains one of the…
Similarity query is the family of queries based on some similarity metrics. Unlike the traditional database queries which are mostly based on value equality, similarity queries aim to find targets "similar enough to" the given data objects,…