Related papers: sympy2c: from symbolic expressions to fast C/C++ f…
We present the Python Tree Tensor Network package (pyTTN) for the evaluation of dynamical properties of closed and open quantum systems that makes use of Tree Tensor Network (TTN), or equivalently the multi-layer multiconfiguration…
Symbolic computation is an important approach in automated program analysis. Most state-of-the-art tools perform symbolic computation as interpreters and directly maintain symbolic data. In this paper, we show that it is feasible, and in…
Simflowny is an open platform which automatically generates efficient parallel code of scientific dynamical models for different simulation frameworks. Here we present major upgrades on this software to support simultaneously a quite…
The analysis of experimental results with Python often requires writing many code scripts which all need access to the same set of functions. In a common field of research, this set will be nearly the same for many users. The qspec Python…
Optimization over the embedded submanifold defined by constraints $c(x) = 0$ has attracted much interest over the past few decades due to its wide applications in various areas. Plenty of related optimization packages have been developed…
The article presents and documents the Mathematica package SymBuild. This package implements the computation and manipulation of integrable symbols appearing in various calculations in high-energy scattering amplitudes. By using Gr\"obner…
There are numerous examples of problems in symbolic algebra in which the required storage grows far beyond the limitations even of the distributed RAM of a cluster. Often this limitation determines how large a problem one can solve in…
In the era of gravitational-wave astronomy, general-relativistic simulations of compact objects play a role of paramount importance. These calculations can be performed with the Einstein Toolkit, an open-source and community-supported…
Numerical simulations of Einstein's field equations provide unique insights into the physics of compact objects moving at relativistic speeds, and which are driven by strong gravitational interactions. Numerical relativity has played a key…
Hamiltonian systems lie at the heart of modeling the physical world. Their defining scalar, the Hamiltonian, encodes both energy conservation and symplectic geometry in its phase-space trajectories. Recent deep learning approaches model…
Recent progress of symbolic dynamics of one- and especially two-dimensional maps has enabled us to construct symbolic dynamics for systems of ordinary differential equations (ODEs). Numerical study under the guidance of symbolic dynamics is…
We present a new method for solving symbolically zero--dimensional polynomial equation systems in the affine and toric case. The main feature of our method is the use of problem adapted data structures: arithmetic networks and…
Magpy is a C++ accelerated Python package for modelling and simulating the magnetic dynamics of nano-sized particles. Nanoparticles are modelled as a system of three-dimensional macrospins and simulated with a set of coupled stochastic…
The Python package pyABC provides a framework for approximate Bayesian computation (ABC), a likelihood-free parameter inference method popular in many research areas. At its core, it implements a sequential Monte-Carlo (SMC) scheme, with…
Hyperbolic programming is the problem of computing the infimum of a linear function when restricted to the hyperbolicity cone of a hyperbolic polynomial, a generalization of semidefinite programming. We propose an approach based on symbolic…
We present the public release of EXP, a basis function expansion C++ library and Python package for running N-body galactic simulations and dynamical discovery. EXP grew out of the need for methodology that seamlessly connects theoretical…
CP2K is an open source electronic structure and molecular dynamics software package to perform atomistic simulations of solid-state, liquid, molecular and biological systems. It is especially aimed at massively-parallel and linear-scaling…
Simflowny is an open platform which automatically generates parallel code of scientific dynamical models for different simulation frameworks. Here we present major upgrades on this software to support an extended set of families of models,…
We present Glyph - a Python package for genetic programming based symbolic regression. Glyph is designed for usage let by numerical simulations let by real world experiments. For experimentalists, glyph-remote provides a separation of…
The PySCF package has emerged as a powerful and flexible open-source platform for quantum chemistry simulations. However, the efficiency of electronic structure calculations can vary significantly depending on the choice of computational…