相关论文: MatsubaraFunctions.jl: An equilibrium Green's func…
Computational elements in thermodynamics have become increasingly important in contemporary chemical-engineering research and practice. However, traditional thermodynamics instruction provides little exposure to computational…
We develop a Green's function approach for the nonequilibrium dynamics of multi-level quantum dots coupled to multiple fermionic reservoirs in the presence of a bosonic environment. Our theory is simpler than the Keldysh approach and goes…
On the basis of the Luttinger-Ward formalism for the thermodynamic potential, the specific heat of single-component interacting fermion systems with fixed chemical potential is compactly expressed in terms of the fully renormalized…
The Julia programming language has evolved into a modern alternative to fill existing gaps in scientific computing and data science applications. Julia leverages a unified and coordinated single-language and ecosystem paradigm and has a…
In this paper we present the development of an open-source simulation toolbox, PowerSimulationsDynamics.jl, to study the dynamic response of power systems, focusing on the requirements to model systems with high penetrations of…
MacroEnergy.jl (aka Macro) is an open-source framework for multi-sector capacity expansion modeling and analysis of macro-energy systems. It is written in Julia and uses the JuMP package to interface with a wide range of mathematical…
Julia is a mature general-purpose programming language, with a large ecosystem of libraries and more than 12000 third-party packages, which specifically targets scientific computing. As a language, Julia is as dynamic, interactive, and…
The importance of computers is continually increasing in radiotherapy. Efficient algorithms, implementations and the ability to leverage advancements in computer science are crucial to improve cancer care even further and deliver the best…
In Green's function theory, the total energy of an interacting many-electron system can be expressed in a variational form using the Klein or Luttinger-Ward functionals. Green's function theory also naturally addresses the case where the…
We present \texttt{MathOptAI.jl}, an open-source Julia library for embedding trained machine learning predictors into a JuMP model. \texttt{MathOptAI.jl} can embed a wide variety of neural networks, decision trees, and Gaussian Processes…
This paper covers two major subjects: First, the presentation of a new open-source library called FMI.jl for integrating FMI into the Julia programming environment by providing the possibility to load, parameterize and simulate FMUs.…
A method to implement the many-body Green function formalism in the GW approximation for infinite non periodic systems is presented. It is suitable to treat systems of known ``asymptotic'' properties which enter as boundary conditions,…
Increasing emphasis on data and quantitative methods in the biomedical sciences is making biological research more computational. Collecting, curating, processing, and analysing large genomic and imaging data sets poses major computational…
Nonequilibrium Green's functions provide a powerful tool for computing the dynamical response and particle exchange statistics of coupled quantum systems. We formulate the theory in terms of the density matrix in Liouville space and…
MomentClosure.jl is a Julia package providing automated derivation of the time-evolution equations of the moments of molecule numbers for virtually any chemical reaction network using a wide range of moment closure approximations. It…
This is an introductory chapter on how to calculate nonequilibrium Green's functions via dynamical mean-field theory for the Autumn School on Correlated Electrons: Many-Body Methods for Real Materials, 16-20 September 2019,…
We present Trixi.jl, a Julia package for adaptive high-order numerical simulations of hyperbolic partial differential equations. Utilizing Julia's strengths, Trixi.jl is extensible, easy to use, and fast. We describe the main design choices…
We present the software design of Gridap, a novel finite element library written exclusively in the Julia programming language, which is being used by several research groups world-wide to simulate complex physical phenomena such as…
We present FractionalDiffEq.jl, a comprehensive solver suite for solving fractional differential equations, featuring high-performance numerical algorithms in the Julia programming language. FractionalDiffEq.jl is designed to be…
Several widely used methods for the calculation of band structures and photo emission spectra, such as the GW approximation, rely on Many-Body Perturbation Theory. They can be obtained by iterating a set of functional differential equations…