Related papers: Quantum Self-Consistent Ab-Initio Lattice Dynamics
In this report we consider the numerical simulations at finite temperature using lattice QCD data for the computation of the thermodynamical quantities including the pressure, energy density and the entropy density. These physical…
Quantum-Induced Stochastic Dynamics arises from the coupling between a classical system and a quantum environment. Unlike standard thermal reservoirs, this environment acts as a dynamic bath, capable of simultaneously exchanging heat and…
The pseudoscalar correlator is an ideal lattice probe for thermal modifications to quarkonium spectra, given that it is not compromised by a contribution from a large transport peak. We construct a perturbative spectral function…
This paper explores the interplay between quantum nuclear motion and anharmonicity, which causes nontrivial effects on the structural and dynamical characteristics of silicene, a two-dimensional (2D) allotrope of silicon with interesting…
Double beta decays are rare nuclear processes that can occur in two modes: two-neutrino double beta decay, observed in the Standard Model, and neutrinoless double beta decay, a hypothetical process with profound implications for Particle…
We review the current methods and results of lattice simulations of quantum chromodynamics at nonzero temperatures and densities. The review is intended to introduce the subject to interested nonspecialists and beginners. It includes a…
This MSc dissertation is based on the papers arXiv:2502.12694 and arXiv:2408.14813. The AdS/CFT correspondence provides a powerful framework for modeling strongly coupled gauge theories and, as a consequence, investigating non-perturbative…
Classical density-functional theory is employed to study finite-temperature trends in the relative stabilities of one-component quasicrystals interacting via effective metallic pair potentials derived from pseudopotential theory. Comparing…
We implement a variational quantum algorithm to investigate the chiral condensate in a 1+1 dimensional SU(2) non-Abelian gauge theory. The algorithm is evaluated using a proposed Monte Carlo sampling method, which allows the extension to…
A Dyson map explicitly determines the appropriate basis of electromagnetic fields which yields a unitary representation of the Maxwell equations in an inhomogeneous medium. A qubit lattice algorithm (QLA) is then developed perturbatively to…
We present a detailed account of the theoretical progress and the computational strategy that led to the non-perturbative determination of the QCD Equation of State at temperatures up to the electroweak scale reported in [Phys. Rev. Lett.…
The local crystal structures of many perovskite-structured materials deviate from the average space group symmetry. We demonstrate, from lattice-dynamics calculations based on quantum chemical force constants, that all the caesium-lead and…
Ab initio molecular dynamics (AIMD) is a powerful tool to predict properties of molecular and condensed matter systems. The quality of this procedure is based on accurate electronic structure calculations. The development of quantum…
Transition to thermal equilibrium in a uniformly heated two-dimensional harmonic triangular lattice with nearest neighbor interactions is investigated. Initial conditions, typical for molecular dynamics simulations, are considered.…
A real-space formalism for density-functional perturbation theory (DFPT) is derived and applied for the computation of harmonic vibrational properties in molecules and solids. The practical implementation using numeric atom-centered…
Matter described by Quantum Chromodynamics (QCD), the theory of strong interactions, may undergo phase transitions when its temperature and the chemical potentials are varied. QCD at finite temperature is studied in the laboratory by…
We consider heat transfer in an infinite two-dimensional square harmonic scalar lattice lying in a viscous environment and subjected to a heat source. The basic equations for the particles of the lattice are stated in the form of a system…
The decay rate for a particle in a metastable cubic potential is investigated in the quantum regime by the Euclidean path integral method in semiclassical approximation. The imaginary time formalism allows one to monitor the system as a…
We simulate lattice QCD at a finite chemical potential $\mu_I$ for isospin ($I_3$) at zero and finite temperatures. At some $\mu_I=\mu_c$ QCD has a second order transition with mean-field critical exponents to a state where ($I_3$) is…
A quantum spin liquid (QSL) is a state of matter where unpaired electrons' spins in a solid are quantum entangled, but do not show magnetic order in the zero-temperature limit. Because such a state may be important to the microscopic origin…