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Bond-order potentials (BOPs) are derived from the tight-binding (TB) approximation and provide a linearly-scaling computation of the energy and forces for a system of interacting atoms. While the numerical BOPs involve the numerical…
We investigate a classical formulation of the Quantum Approximate Optimization Algorithm (QAOA), realized as a Hamiltonian dynamical system of classical kicked tops, which we call the Variational Iterative Rotation Algorithm (VIRAL). The…
Ordered realizations of discrete POVMs are studied through a residual transform generated by sequential tests. One application of the transform replaces each coordinate by the effect obtained after all earlier tests have failed, and appends…
Out-of-time-ordered correlators (OTOCs) have been proposed as a tool to witness quantum information scrambling in many-body system dynamics. These correlators can be understood as averages over nonclassical multi-time quasi-probability…
Random Phase Approximation (RPA) is the theory most commonly used to describe the excitations of many-body systems. In this article, the secular equations of the theory are obtained by using three different approaches: the equation of…
The main goal of the present paper is to convince that it is feasible to construct a `periodic orbit theory' of localization by extending the idea of classical action correlations. This possibility had been questioned by many researchers in…
The variational quantum eigensolver (VQE) has emerged as one of the leading quantum algorithms for solving electronic structure problems on near-term noisy intermediate-scale quantum devices. However, its practical application to quantum…
We present that the spin$-$orbit alignment (SOA; i.e., the angular alignment between the spin vector of a halo and the orbital angular momentum vector of its neighbor) provides an important clue to how galactic angular momenta develop. In…
We develop and test methods that include second and third-order perturbation theory (MP3) using orbitals obtained from regularized orbital-optimized second-order perturbation theory, $\kappa$-OOMP2, denoted as MP3:$\kappa$-OOMP2. Testing…
Variational quantum eigensolver ans\"atze hold considerable promise for ground-state energy calculations on near-term quantum hardware, yet most promising ansatz designs currently strongly depend on how well the molecular orbital basis…
The nucleation kinetics of the rotator phase in hard cuboctahedra, truncated octahedra, and rhombic dodecahedra is simulated via a combination of Forward Flux Sampling and Umbrella Sampling. For comparable degree of supersaturation, the…
Building oscillator based computing systems with emerging nano-device technologies has become a promising solution for unconventional computing tasks like computer vision and pattern recognition. However, simulation and analysis of these…
We compare reduced three-point correlations $Q$ of matter, haloes (as proxies for galaxies) and their cross correlations, measured in a total simulated volume of $\sim100 \ (h^{-1} \text{Gpc})^{3}$, to predictions from leading order…
Using an effective potential method we examine binary black holes where the individual holes carry spin. We trace out sequences of quasi-circular orbits and locate the innermost stable circular orbit as a function of spin. At large…
The partial oracles framework is a quantum search algorithm that has the potential to exceed the quadratic speedup of Grover's algorithm, up to a theoretical maximum of an exponential speedup. Until now, however, the framework has lacked an…
A previously proposed computational procedure for constructing a set of nonorthogonal strongly localised one-electron molecular orbitals (O. Danyliv, L. Kantorovich - physics/0401107) is applied to a perfect $\alpha$-quartz crystal…
We present a new method for generating robust guesses for unstable periodic orbits (UPOs) by post-processing turbulent data using dynamic mode decomposition (DMD). The approach relies on the identification of near-neutral, repeated…
Constrained combinatorial optimization remains challenging for quantum algorithms because feasibility must be explicitly enforced, typically through penalty terms or problem-specific mixers. We introduce Partitioned-Constraint QAOA…
The shocked wave created on the accretion disk after different physical phenomena (accretion flows with pressure gradients, star-disk interaction etc.) may be responsible observed Quasi Periodic Oscillations (QPOs) in $X-$ray binaries. We…
For decades, scientists have studied the intricate charge migration dynamics, where after ionization a localized charge distribution ("hole") migrates across the molecule on a femtosecond timescale. This has the potential for controlling…