Related papers: Efficient Mean-Field Simulation of Quantum Circuit…

Million-atom quantum simulations are in principle feasible with Orbital-Free Density Functional Theory (OF-DFT) because the algorithms only require simple functional minimizations with respect to the electron density function. In this…

Recent years have seen unprecedented advance in the design and control of quantum computers. Nonetheless, their applicability is still restricted and access remains expensive. Therefore, a substantial amount of quantum algorithms research…

Quantum circuit simulations are critical for evaluating quantum algorithms and machines. However, the number of state amplitudes required for full simulation increases exponentially with the number of qubits. In this study, we leverage data…

We prove that the theorems of TDDFT can be applied to a class of qubit Hamiltonians that are universal for quantum computation. The theorems of TDDFT applied to universal Hamiltonians imply that single-qubit expectation values can be used…

We review an approach where the energy functional of Density-Functional Theory (DFT) can be determined without empiricism via a Quantum Monte Carlo (QMC) procedure. The idea consists of a nested iterative loop where the configurational…

Quantum-mechanical phenomena are playing an increasing role in information processing, as transistor sizes approach the nanometer level, and quantum circuits and data encoding methods appear in the securest forms of communication.…

We present full quantum mechanical conductance calculations of a quantum point contact (QPC) performed in the framework of the density functional theory (DFT) in the local spin-density approximation (LDA). We show that a spin-degeneracy of…

In the framework of quantum thermodynamics, we propose a method to quantitatively describe thermodynamic quantities for out-of-equilibrium interacting many-body systems. The method is articulated in various approximation protocols which…

Density functional theory is a successful branch of numerical simulations of quantum systems. While the foundations are rigorously defined, the universal functional must be approximated resulting in a `semi'-ab initio approach. The search…

We introduce Quantum Functional Information (QFI), a new metric to quantify the rarity and utility of quantum states and circuits. Unlike standard measures such as fidelity or entropy, QFI captures the balance between functionality and…

Since simulating quantum computers requires exponentially more classical resources, efficient algorithms are extremely helpful. We analyze algorithms that create single qubit and specific controlled qubit matrix representations of gates.…

Density-potential functional theory (DPFT) is an alternative formulation of orbital-free density functional theory that may be suitable for modeling the electronic structure of large systems. To date, DPFT has been applied mainly to quantum…

Computing ground-state properties of molecules is a promising application for quantum computers operating in concert with classical high-performance computing resources. Quantum embedding methods are a family of algorithms particularly…

We formulate and analyze in detail the ground state quantum electrodynamical density functional theory (QEDFT) for a generalized Dicke model describing a collection of $N$ tight-binding dimers minimally coupled to a cavity photon mode. This…

Linear-scaling implementations of density functional theory (DFT) reach their intended efficiency regime only when applied to systems having a physical size larger than the range of their Kohn-Sham density matrix (DM). This causes a problem…

Distributed quantum computing (DQC) combines the computing power of multiple networked quantum processing modules, enabling the execution of large quantum circuits without compromising on performance and connectivity. Photonic networks are…

The development of complex circuits for practical applications in the current quantum computing ecosystem is based on basic primitives such as Bell states, which provide superposition, entanglement, and coherence. The range of…

As the number of qubits in a sensor increases, the complexity of designing and controlling the quantum circuits grows exponentially. Manually optimizing these circuits becomes infeasible. Optimizing entanglement distribution in large-scale…

Quantum computing is one of the most promising technology advances of the latest years. Once only a conceptual idea to solve physics simulations, quantum computation is today a reality, with numerous machines able to execute quantum…

Random quantum circuits are commonly viewed as hard to simulate classically. In some regimes this has been formally conjectured, and there had been no evidence against the more general possibility that for circuits with uniformly random…