相关论文: MatsubaraFunctions.jl: An equilibrium Green's func…

N-body simulations and trajectory analysis rely on the calculation of attributes that depend on pairwise particle distances within a cutoff. Interparticle potential energies, forces, distribution functions, neighbor lists, and…

This report presents a brief review of matrix algebra and its implementation in Julia for power and energy applications. First, we present basic examples of data visualization, followed by conventional operations with matrices and vectors.…

Chemellia is an open-source framework for atomistic machine learning in the Julia programming language. The framework takes advantage of Julia's high speed as well as the ability to share and reuse code and interfaces through the paradigm…

Accurate and efficient methods to simulate nonadiabatic and quantum nuclear effects in high-dimensional and dissipative systems are crucial for the prediction of chemical dynamics in condensed phase. To facilitate effective development,…

The method of many-body Green's functions is developed for arbitrary systems of electrons and nuclei starting from the full (beyond Born-Oppenheimer) Hamiltonian of Coulomb interactions and kinetic energies. The theory presented here…

BlockSystems.jl and NetworkDynamics.jl are two novel software packages which facilitate highly efficient transient stability simulations of power networks. Users may specify inputs and power system design in a convenient modular and…

We examine thermal Green's functions of fermionic operators in quantum field theories with gravity duals. The calculations are performed on the gravity side using ingoing Eddington-Finkelstein coordinates. We find that at negative imaginary…

We present FrankWolfe.jl, an open-source implementation of several popular Frank-Wolfe and Conditional Gradients variants for first-order constrained optimization. The package is designed with flexibility and high-performance in mind,…

We present a general representation for solving problems in many-body perturbation theory. By projecting the single-particle Green's function to an auxiliary space we show how one can convert an arbitrary Feynman graph to a universal kernel…

Basic computer arithmetic operations, such as $+$, $\times$, or $\div$ are correctly rounded, whilst mathematical functions such as $e^x$, $\ln(x)$, or $\sin(x)$ in general are not, meaning that separate implementations may provide…

In this paper, we propose a new analytic continuation method to extract real frequency spectral functions from imaginary frequency Green's functions of quantum many-body systems. This method is based on the pole representation of Matsubara…

We present an efficient numerical implementation of the quasi-classical doorway-window approximation, specifically designed for on-the-fly simulations of time-resolved nonlinear spectroscopic signals in the Julia package WaveMixings.jl. The…

We implement the numerical method of summing Green function diagrams on the Matsubara frequency axis for the fluctuation exchange (FLEX) approximation. Our method has previously been applied to the attractive Hubbard model for low density.…

We provide a mathematical analysis of the Dynamical Mean-Field Theory, a celebrated representative of a class of approximations in quantum mechanics known as embedding methods. We start by a pedagogical and self-contained mathematical…

TopologicalNumbers.jl is an open-source Julia package designed to calculate topological invariants, mathematical quantities that characterize the properties of materials in condensed matter physics. These invariants, such as the Chern…

We revise critically existing approaches to evaluation of thermodynamic potentials within the Green's function calculations at finite electronic temperatures. We focus on the entropy and show that usual technical problems related to the…

We develop Green's function formalism to describe continuous multi-layered quasi-one-dimensional setups described by piece-wise constant single-particle Hamiltonians. The Hamiltonians of the individual layers are assumed to be quadratic…

Marginal effects analysis is fundamental to interpreting statistical models, yet existing implementations face computational constraints that limit analysis at scale. We introduce two Julia packages that address this gap. Margins.jl…

Many phenomena of strongly correlated materials are encapsulated in the Fermi-Hubbard model whose thermodynamical properties can be computed from its grand canonical potential according to standard procedures. In general, there is no closed…

In this article, we investigate the thermal properties of non-relativistic many-body systems at finite temperature and chemical potential. We compute the one-point function of various operators constructed out of the basic fields in ideal…