Related papers: Periodic Boundary Conditions for Bosonic Path Inte…
Periodic boundary conditions (PBCs) for computing magnetic fields in repeating magnetic structures, e.g. in micromagnetic simulations, are typically imposed using the quasi periodic macrogeometry approach, where many copies of the simulated…
We investigate the quantum and thermal phase diagram of fermionic polar molecules loaded in a bilayer trapping potential with perpendicular dipole moment. We use both a BCS theory approach that is most realiable at weak-coupling and a…
A multilevel approach to sample the potential energy surface in a path integral formalism is proposed. The purpose is to reduce the required number of ab initio evaluations of energy and forces in ab initio path integral molecular dynamics…
It is well known that using the conventional non-Hermitian but ${\cal PT}-$symmetric Bose-Hubbard Hamiltonian with real spectrum one can realize the Bose-Einstein condensation (BEC) process in an exceptional-point limit of order $N$. Such…
In this paper, we present a parallel higher-order boundary integral method to solve the linear Poisson-Boltzmann (PB) equation. In our method, a well-posed boundary integral formulation is used to ensure the fast convergence of Krylov…
Quantum effects due to the spatial delocalization of light atoms are treated in molecular simulation via the path integral technique. Among several methods, Path Integral (PI) Molecular Dynamics (MD) is nowadays a powerful tool to…
Immersed boundary methods are extensively used for simulations of dynamic solid objects interacting with fluids due to their computational efficiency and modelling flexibility compared to body-fitted grid methods. However, thin geometries,…
In this paper we present a Path Integral Monte Carlo (PIMC) simulation of the orthorhombic phase of crystalline polyethylene, using an explicit atom force field with unconstrained bond lengths and angles. This work represents a quantum…
Multi-particle collision dynamics (MPCD) is a mesoscopic simulation method to simulate fluid particle-like flows. MPCD has been widely used to simulate various problems in condensed matter. In this study, hydrostatic behavior of gas in the…
The path integral approach to quantum mechanics requires a substantial generalisation to describe the dynamics of systems confined to bounded domains. Non-local boundary conditions can be introduced in Feynman's approach by means of…
In the present paper, a fluid-particle coupling method is directly derived from the Navier-Stokes equations (NSE) by applying the concept of volume-filtering, yielding a physically consistent methodology to incorporate solid wall boundary…
Developing new methods for the accurate and efficient calculations of real-time quantum correlation functions is deemed one of the most challenging problems of modern condensed matter theory. Many popular methods, such as centroid molecular…
Classical and path integral molecular dynamics (PIMD) simulations are used to study alpha-quartz and beta-quartz in a large range of temperatures at zero external stress. PIMD account for quantum fluctuations of atomic vibrations, which can…
The effective description of a bosonic quantum system identifies the minimum finite dimension required to capture its essential dynamics. This effective dimension plays an important role in the complexity of classical and quantum algorithms…
Two of the most successful methods that are presently available for simulating the quantum dynamics of condensed phase systems are centroid molecular dynamics (CMD) and ring polymer molecular dynamics (RPMD). Despite their conceptual…
We provide a framework to build periodic boundary conditions on the pseudosphere (or hyperbolic plane), the infinite two-dimensional Riemannian space of constant negative curvature. Starting from the common case of periodic boundary…
Immersed boundary-lattice Boltzmann method (IB-LBM) has been widely used for simulation of particle-laden flows recently. However, it was limited to small-scale simulations with no more than O(103) particles. Here, we expand IB-LBM for…
In these notes, we elucidate some subtle aspects of coherent-state path integrals, focusing on their application to the equilibrium thermodynamics of quantum many-particle systems. These subtleties emerge when evaluating path integrals in…
To describe the tunneling dynamics of a stack of two-dimensional fermionic superfluids in an optical potential, we derive an effective action functional from a path integral treatment. This effective action leads, in the saddle point…
The quantum many-body problem in condensed phases is often simplified using a quasiparticle description, such as effective mass theory for electron motion in a periodic solid. These approaches are often the basis for understanding many…