Related papers: MassToMI - a Mathematica package for an automatic …
A large part of modern machine learning theory often involves computing the high-dimensional expected trace of a rational expression of large rectangular random matrices. To symbolically compute such quantities using free probability…
Despite the wide availability of density functional theory (DFT) codes, their adoption by the broader materials science community remains limited due to challenges such as software installation, input preparation, high-performance computing…
We provide here all the procedures in \texttt{Mathematica} which are needed for the computation of the analytic images of the strong coupling constant powers in Minkowski (${\bar{\mathfrak A}_{\nu}(s;n_f)}$ and ${\mathfrak…
The method of the large mass expansion (LME) is investigated for selfenergy and vertex functions in two-loop order. It has the technical advantage that in many cases the expansion coefficients can be expressed analytically. As long as only…
This paper presents STrEAM (SuperTrace Evaluation Automated for Matching), a Mathematica package that calculates all functional supertraces which arise when matching a generic UV model onto a relativistic Effective Field Theory (EFT) at one…
Recent successes in Monte Carlo methods for simulating fermionic quantum impurity models have been based on diagrammatic resummation techniques, but are restricted by the need to sum over factorially large classes of diagrams individually.…
Studies Beyond the Standard Model (BSM) will become more and more important in the near future with a rapidly increasing amount of data from different experiments around the world. The full study of BSM models is in general an extremely…
We introduce the MathGR package, written in Mathematica. The package can manipulate tensor and GR calculations with either abstract or explicit indices, simplify tensors with permutational symmetries, decompose tensors from abstract indices…
We present Quantum MASALA, a compact package that implements different electronic structure methods in Python using the plane-wave basis. Within just 8100 lines of pure Python code, we have implemented Density Functional Theory (DFT),…
The QMol-grid package provides a suite of routines for performing quantum-mechanical simulations in atomic and molecular systems, currently implemented in one spatial dimension. It supports ground- and excited-state calculations for the…
A big class of Feynman integrals, in particular, the coefficients of their Laurent series expansion w.r.t.\ the dimension parameter $\ep$ can be transformed to multi-sums over hypergeometric terms and harmonic sums. In this article, we…
An implicit purification scheme is proposed for calculation of the temperature-dependent, grand canonical single-particle density matrix, given as a Fermi operator expansion in terms of the Hamiltonian. The computational complexity is shown…
In a recent paper \cite{ft} a new powerful method to calculate Feynman diagrams was proposed. It consists in setting up a Taylor series expansion in the external momenta squared. The Taylor coefficients are obtained from the original…
We present the Mathematica group theory package GTPack providing about 200 additional modules to the standard Mathematica language. The content ranges from basic group theory and representation theory to more applied methods like crystal…
We extract the leading effective range corrections to the equation of state of the unitary Fermi gas from ab initio fixed-node quantum Monte Carlo (FNQMC) calculations in a periodic box using a density functional theory (DFT), and show them…
We describe a Python-based computer program, DEFT, for manipulating operators in effective field theories (EFTs). In its current incarnation, DEFT can be applied to 4-dimensional, Poincar\'{e} invariant theories with gauge group…
We describe how to apply the recently developed pole expansion and selected inversion (PEXSI) technique to Kohn-Sham density function theory (DFT) electronic structure calculations that are based on atomic orbital discretization. We give…
This review gives an overview on the research of algorithms for dynamical fermions used in large scale lattice QCD simulations. First a short overview on the state-of-the-art of ensemble generation at the physical point is given. Followed…
Electronic-structure theory is the foundation of the description of materials including multiscale modeling of their properties and functions. Obviously, without sufficient accuracy at the base, reliable predictions are unlikely at any…
We discuss the program EXP used to automate the successive application of asymptotic expansions to Feynman diagrams. We focus on the generation of the relevant subgraphs and the determination of the topologies for the remaining integrals.…