Related papers: The Generalized Green's function Cluster Expansion…

We investigate Pauli-consistent ensemble Monte Carlo simulations of graphene with explicit intraband electron-electron scattering. To reduce the cost of electron-electron proposal-rate evaluation, we introduce a sampled-partner…

We study the single-band Hubbard model under the action of an external magnetic field using the cumulant Green's functions method (CGFM). The starting point of the method is to diagonalize a cluster containing N correlated sites (seed) and…

A Generalized Morse Potential (GMP) is an extension of the Morse Potential (MP) with an additional exponential term and an additional parameter that compensate for MP's erroneous behavior in the long range part of the interaction potential.…

Using a computationally inexpensive frozen phonon approach we have developed a technique which can be used to screen large unit cell materials and systems for enhanced superconducting critical temperatures. The method requires only density…

We study numerical methods for the generalized Langevin equation (GLE) with a positive Prony series memory kernel, in which case the GLE can be written in an extended variable Markovian formalism. We propose a new splitting method that is…

The Holstein model often serves as an archetype for electron-phonon interactions and polaron formation in solids. However, precise descriptions of the Holstein polaron are difficult when the phonon frequency is small and the electron-phonon…

We extend to a general class of covariant gauges an approach which relates the thermal Green functions to forward scattering amplitudes of thermal particles. A brief discussion of the non-transversality of the thermal gluon polarization…

Computational models can provide significant insight into the operation mechanisms and deficiencies of photovoltaic solar cells. Solcore is a modular set of computational tools, written in Python 3, for the design and simulation of…

Conventional simulations of complex systems in the canonical ensemble suffer from the quasi-ergodicity problem. A simulation in generalized ensemble overcomes this difficulty by performing a random walk in potential energy space and other…

We provide a comprehensive solution to the lattice dynamics problem in the two dimensional Holstein model at finite electron density and finite temperature. We work in the physically relevant adiabatic regime and vary the electron-phonon…

We compute the pion Generalized Parton Distribution (GPD) in a valence dressed quarks approach. We model the Mellin moments of the GPD using Ans\"atze for Green functions inspired by the numerical solutions of the Dyson-Schwinger Equations…

A software library is presented for the polynomial expansion method (PEM) of the density of states (DOS) developed by two of the authors (N.F. and Y. M.). The library provides all necessary functions for the use of the PEM and its truncated…

We introduce a natural way to extend celebrated spin-cluster Monte Carlo algorithms for fast thermal lattice simulations at criticality, like Wolff, to systems in arbitrary fields, be they linear magnetic vector fields or nonlinear…

An end-to-end strategy for hybrid quantum-classical computations of Green's functions in many-body systems is presented and applied to the pairing model. The scheme makes explicit use of the spectral representation of the Green's function,…

The electron-phonon coupling in ultrafast heating systems is studied within the framework of Boltzmann transport equation (BTE) with coupled electron and phonon transport. A discrete unified gas kinetic scheme is developed to solve the BTE,…

We introduce PoCET: a free and open-scource Polynomial Chaos Expansion Toolbox for Matlab, featuring the automatic generation of polynomial chaos expansion (PCE) for linear and nonlinear dynamic systems with time-invariant stochastic…

A review of tools and methods to calculate electrostatic potentials and fields inside high-purity germanium detectors in various configurations is given. The methods are illustrated concretely with a new educational program named GeFiCa -…

We present an overview of electronic device modeling using non-equilibrium Green function techniques. The basic approach developed in the early 1970s has become increasingly popular during the last 10 years. The rise in popularity was…

Background: Generalized polarizabilities (GPs) are important observables to describe the nucleon structure, and measurements of these observables are still scarce. Purpose: This paper presents details of a virtual Compton scattering (VCS)…

In alloys cluster expansions (CE) are increasingly used to combine first-principles electronic-structure and Monte Carlo methods to predict thermodynamic properties. As a basis-set expansion in terms of lattice geometrical clusters and…