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We present a computer program to calculate the quantised rotational and hyperfine energy levels of $^{1}\Sigma $ diatomic molecules in the presence of dc electric, dc magnetic, and off-resonant optical fields. Our program is applicable to…
How can we perform computations over natural language representations to solve tasks that require symbolic and numeric reasoning? We propose natural language embedded programs (NLEP) as a unifying framework for addressing math/symbolic…
In recent years, numerical simulations have become indispensable for addressing complex astrophysical problems. The MagnetoHydroDynamics (MHD) framework represents a key tool for investigating the dynamical evolution of astrophysical…
We study the build up of complexity on the example of 1 kg matter in different forms. We start on the simplest example of ideal gases, and then continue with more complex chemical, biological, life and social and technical structures. We…
Pattern matching is a powerful tool for symbolic computations. Applications include term rewriting systems, as well as the manipulation of symbolic expressions, abstract syntax trees, and XML and JSON data. It also allows for an intuitive…
DIETER is an open-source power sector model designed to analyze future settings with very high shares of variable renewable energy sources. It minimizes overall system costs, including fixed and variable costs of various generation,…
Systematic comparisons across theoretical predictions for the properties of dense matter, nuclear physics data, and astrophysical observations (also called meta-analyses) are performed. Existing predictions for symmetric nuclear and neutron…
Information-theoretic approaches provide a promising avenue for extending the laws of thermodynamics to the nanoscale. Here, we provide a general fundamental lower limit, valid for systems with an arbitrary Hamiltonian and in contact with…
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…
The NTMpy code package allows for simulating the one-dimensional thermal response of multilayer samples after optical excitation, as in a typical pump-probe experiment. Several Python routines are combined and optimized to solve coupled…
Any cutting-edge scientific research project requires a myriad of computational tools for data generation, management, analysis and visualization. Python is a flexible and extensible scientific programming platform that offered the perfect…
In the field of computational fluid dynamics, direct numerical simulations generate highly detailed data for the analysis of turbulent flows by resolving all relevant physical scales. Yet their large size, complexity, and heterogeneity make…
Understanding astrophysical and cosmological processes can be challenging due to their complexity and lack of intuitive analogies. To address this, we present \texttt{AstronomyCalc}, a Python package specifically designed to aid…
We devise a hierarchy of computational algorithms to enumerate the microstates of a system comprising N independent, distinguishable particles. An important challenge is to cope with integers that increase exponentially with system size,…
We describe a novel, interdisciplinary, computational methods course that uses Python and associated numerical and visualization libraries to enable students to implement simulations for a number of different course modules. Problems in…
Numerov's numerical method is developed in a didactic way by using Python in its {\it Jupyter Notebook} version 6.0.3 for three different quantum physical systems: the hydrogen atom, a molecule governed by the Morse potential and for a…
The Python library FatGHol FatGHoL used in Murri2012 to reckon the rational homology of the moduli space of Riemann surfaces is an example of a non-numeric scientific code: most of the processing it does is generating graphs (represented by…
Ordinary Differential Equations (ODE) are used throughout science where the capture of rates of change in states is sought. While both pieces of commercial and open software exist to study such systems, their efficient and accurate usage…
QAssemble is a pure-Python package for the quantum many-body problem. It implements various functional approaches, such as tight-binding, Hartree-Fock, and GW approximations within a unified object-oriented architecture. Each physical…
In this paper we present an open source framework developed in Python and consisting of three distinct classes designed to manipulate in a simple and intuitive way both symbolic representations of neutrosophic sets over universes of various…