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Noisy intermediate-scale quantum computers (NISQ computers) are now readily available, motivating many researchers to experiment with Variational Quantum Algorithms (VQAs). Among them, the Quantum Approximate Optimization Algorithm (QAOA)…
Finding the ground-state energy of molecules is an important and challenging computational problem for which quantum computing can potentially find efficient solutions. The variational quantum eigensolver (VQE) is a quantum algorithm that…
Long-range effective methods are ubiquitous in physics and in quantum theory, in particular. Furthermore, the reliability of such methods is higher when the nature of short-ranged interactions need not be modeled explicitly. This may be…
The Coupled Cluster (CC) method is used to compute the electronic correlation energy in atoms and molecules and often leads to highly accurate results. However, due to its single-reference nature, standard CC in its projected form fails to…
A unitary coupled-cluster (UCC) form for the wavefunction in the variational quantum eigensolver has been suggested as a systematic way to go beyond the mean-field approximation and include electron correlation in solving quantum chemistry…
The current work presents a natural orbital functional (NOF) for electronic systems with any spin value independent of the external potential being considered, that is, a global NOF (GNOF). It is based on a new two-index reconstruction of…
Quantum imaging, one of the pillars of quantum technologies, is well-suited to study sensitive samples which require low-light conditions, like biological tissues. In this context, interaction-free measurements (IFM) allow us infer the…
The Quantum Approximate Optimization Algorithm (QAOA) is a promising variational quantum algorithm introduced to tackle classically intractable combinatorial optimization problems. This tutorial offers a comprehensive, first-principles…
The Quantum Approximate Optimization Algorithm (QAOA) is an algorithm originally proposed to find approximate solutions to Combinatorial Optimization problems on quantum computers. However, the algorithm has also attracted interest for…
The mechanism of selectivity in ion channels is still an open question in biology. According to recent proposals, it seems that the selectivity filter of the ion channel, which plays a key role in the channel's function, may show quantum…
In this paper, we propose an orbital iteration based parallel approach for electronic structure calculations. This approach is based on our understanding of the single-particle equations of independent particles that move in an effective…
Ions in water are important in biology, from molecules to organs. Classically, ions in water are treated as ideal noninteracting particles in a perfect gas. Excess free energy of ion was zero. Mathematics was not available to deal…
We study the contributions of off-resonant transitions to the dynamics of a system of N multilevel atoms sharing one excitation and interacting with the quantized vector electromagnetic field. The Rotating Wave Approximation significantly…
We suggest a new method for quantum optical control with nanoscale resolution. Our method allows for coherent far-field manipulation of individual quantum systems with spatial selectivity that is not limited by the wavelength of radiation…
We construct a Hamiltonian for a quantum-mechanical model of nonrelativistic particles in three dimensions interacting via the creation and annihilation of a second type of nonrelativistic particles, which are bosons. The interaction…
The quantum approximate optimization algorithm (QAOA) applies two Hamiltonians to a quantum system in alternation. The original goal of the algorithm was to drive the system close to the ground state of one of the Hamiltonians. This paper…
We propose a new quantum approach for describing a system of $n$ interacting particles with variable mass connected by an unknown field with variable form ($n$-VMVF systems). Instead of assuming any particular nature for variation of the…
Inverse Optimal Control (IOC) aims to infer the underlying cost functional of an agent from observations of its expert behavior. This paper focuses on the IOC problem within the continuous-time linear quadratic regulator framework,…
The Sequential Fully Implicit (SFI) method was proposed to simulate coupled immiscible multiphase fluid flow in porous media. Later, it was extended to the black-oil model, whereby the gas component is allowed to dissolve in the oil phase.…
An infinite square well with a discontinuous step is one of the simplest systems to exhibit non-Newtonian ray-splitting periodic orbits in the semiclassical limit. This system is analyzed using both time-independent perturbation theory (PT)…