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The expansiveness of compositional phase space is too vast to fully search using current theoretical tools for many emergent problems in condensed matter physics. The reliance on a deep chemical understanding is one method to identify local…
Images of surface topography of ultrathin magnetic films have been used for Monte Carlo simulations in the framework of the ferromagnetic Ising model to study the hysteresis and thermal properties of nanomaterials. For high performance…
We study the two dimensional quantum Heisenberg antiferromagnet on the square lattice with easy-axis exchange anisotropy. By the semiclassical method called pure-quantum self-consistent harmonic approximation we analyse several…
Simulation of a quantum many-body system at finite temperatures is crucially important but quite challenging. Here we present an experimentally feasible quantum algorithm assisted with continuous-variable for simulating quantum systems at…
Solving finite-temperature properties of quantum many-body systems is generally challenging to classical computers due to their high computational complexities. In this article, we present experiments to demonstrate a hybrid…
Imaginary-time evolution plays an important role in algorithms for computing ground-state and thermal equilibrium properties of quantum systems, but can be challenging to simulate on classical computers. Many quantum algorithms for…
A calculation method for engine temperatures is presented. Special focus is placed on the transient and scattering boundary conditions within the combustion chamber, including fired and coasting conditions, as well as the dynamic heat…
Two of the most challenging tasks in molecular simulation consist in capturing the properties of systems with long-range interactions (e.g. electrolyte solutions) as well as systems containing large molecules such as hydrogels. For the…
We study the isotropic Heisenberg chain with nearest and next-nearest neighbour interactions. The ground state phase diagram is constructed in dependence on the additonal interactions and an external magnetic field. The thermodynamics is…
One suggestion for determining the properties of QCD at finite temperatures and densities is to carry out lattice simulations with an imaginary chemical potential whereby no sign problem arises, and to convert the results to real physical…
We consider quantum Heisenberg ferro- and antiferromagnets on the square lattice with exchange anisotropy of easy-plane or easy-axis type. The thermodynamics and the critical behaviour of the models are studied by the pure-quantum…
A multi-cube method is developed for solving systems of elliptic and hyperbolic partial differential equations numerically on manifolds with arbitrary spatial topologies. It is shown that any three-dimensional manifold can be represented as…
In this chapter, we aim at presenting the basic techniques necessary to go beyond the widely accepted paradigm of second-order numerics. We specifically focus on finite-volume schemes for hyperbolic conservation laws occuring in fluid…
The aim of this work is to introduce a thermo-electromagnetic model for calculating the temperature and the power dissipated in cylindrical pieces whose geometry var\'ies with time and undergoes large deformations; the motion will be a…
Recent materials research has advanced the maximum ferromagnetic transition temperature in semiconductors containing magnetic elements toward room temperature. Reaching this goal would make information technology applications of these…
We present a numerical method for the velocity-space, spatially homogeneous, collisional Boltzmann equation for electron transport in low-temperature plasma (LTP) conditions. Modeling LTP plasmas is useful in many applications, including…
Spontaneous symmetry breaking is responsible for rich quantum phenomena from crystalline structures to superconductivity. This concept was boldly extended to the breaking of time translation, opening an avenue to finding exotic phases of…
We review the non-zero temperature relaxational dynamics of quantum systems near a zero temperature, second-order phase transition. We begin with the quantum Ising chain, for which universal and exact results for the relaxation rates can be…
We present a family of integral equation-based solvers for the linear or semilinear heat equation in complicated moving (or stationary) geometries. This approach has significant advantages over more standard finite element or finite…
The asymptotic iteration method (AIM) is used to obtain both special exact solutions and general approximate solutions for a Hydrogen-like atom confined in a spherical box of arbitrary radius R. Critical box radii, at which states are no…