Related papers: A Quantum-mechanical Approach for Constrained Macr…
The application of a classical approach to various quantum problems - the secular perturbation approach to quantization of a hydrogen atom in external fields and a helium atom, the adiabatic switching method for calculation of a…
For decades, computational chemistry has been posited as one of the areas in which quantum computing would revolutionize. However, the algorithmic advantages that fault-tolerant quantum computers have for chemistry can be overwhelmed by…
Quasicentroid molecular dynamics (QCMD) is a path-integral method for approximating nuclear quantum effects in dynamics simulations, which has given promising results for gas- and condensed-phase water. Here, by simulating the infrared…
Hybrid classical-quantum models are computational schemes that investigate the time evolution of systems, where some degrees of freedom are treated classically, while others are described quantum-mechanically. First, we present the…
We consider discrete and integer-valued cellular automata (CA). A particular class of which comprises "Hamiltonian CA" with equations of motion that bear similarities to Hamilton's equations, while they present discrete updating rules. The…
The quantum chromodynamics (QCD) phase diagram, which reveals the state of strongly interacting matter at different temperatures and densities, is key to answering open questions in physics, ranging from the behavior of particles in neutron…
Computational Fluid Dynamics (CFD) is central to science and engineering, but faces severe scalability challenges, especially in high-dimensional, multiscale, and turbulent regimes. Traditional numerical methods often become prohibitively…
Quantum Machine Learning (QML) is an exciting tool that has received significant recent attention due in part to advances in quantum computing hardware. While there is currently no formal guarantee that QML is superior to classical ML for…
This article proposes a Variational Quantum Algorithm to solve linear and nonlinear thermofluid dynamic transport equations. The hybrid classical-quantum framework is applied to problems governed by the heat, wave, and Burgers' equation in…
A quasi-static process is realized in a purely quantum-mechanical model which is described by oscillator (or particle) systems having relative-phase interactions. Time development of a mixture of two oscillator (or particle) systems which…
Quantum mechanics/molecular mechanics (QM/MM) molecular dynamics (MD) simulations have been developed to simulate molecular systems, where an explicit description of changes in the electronic structure is necessary. However, QM/MM MD…
Combinatorial problems are a common challenge in business, requiring finding optimal solutions under specified constraints. While significant progress has been made with variational approaches such as QAOA, most problems addressed are…
We explore the Quantum Chromodynamics (QCD) phase diagram's complexities, including quark deconfinement transitions, liquid-gas phase changes, and critical points, using the chiral mean-field (CMF) model that is able to capture all these…
The effective approach to quantum dynamics allows a reformulation of the Dirac quantization procedure for constrained systems in terms of an infinite-dimensional constrained system of classical type. For semiclassical approximations, the…
The qualitatively new concept of dynamic complexity in quantum mechanics is based on a new paradigm appearing within a nonperturbational analysis of the Schroedinger equation for a generic Hamiltonian system. The unreduced analysis…
A dynamical atomistic chain to simulate mechanical properties of a one-dimensional material with zero temperature may be modelled by the molecular dynamics (MD) model. Because the number of particles (atoms) is huge for a MD model, in…
Different approaches are compared to formulation of quantum mechanics of a particle on the curved spaces. At first, the canonical, quasi-classical and path integration formalisms are considered for quantization of geodesic motion on the…
We model the dynamics of a closed quantum system brought out of mechanical equilibrium, undergoing a non-driven, spontaneous, thermodynamic transformation. In particular, we consider a quantum particle in a box with a moving and insulating…
This paper is a review of our recent work on three notorious problems of non-relativistic quantum mechanics: realist interpretation, quantum theory of classical properties and the problem of quantum measurement. A considerable progress has…
Quantum computing is concerned with computer technology based on the principles of quantum mechanics, with operations performed at the quantum level. Quantum computational models make it possible to analyze the resources required for…