Related papers: ePSproc: Post-processing suite for ePolyScat elect…
This paper describes a new multipurpose event generator, ESEPP, which has been developed for the Monte Carlo simulation of unpolarized elastic scattering of charged leptons on protons. The generator takes into account the lowest-order QED…
Numerical simulations are a powerful tool to study quantum systems beyond exactly solvable systems lacking an analytic expression. For one-dimensional entangled quantum systems, tensor network methods, amongst them Matrix Product States…
The freud Python package is a powerful library for analyzing simulation data. Written with modern simulation and data analysis workflows in mind, freud provides a Python interface to fast, parallelized C++ routines that run efficiently on…
The absorption and emission of light by exoplanet atmospheres encode details of atmospheric composition, temperature, and dynamics. Fundamentally, simulating these processes requires detailed knowledge of the opacity of gases within an…
We introduce DeePKS-kit, an open-source software package for developing machine learning based energy and density functional models. DeePKS-kit is interfaced with PyTorch, an open-source machine learning library, and PySCF, an ab initio…
Mixture models are powerful statistical models used in many applications ranging from density estimation to clustering and classification. When dealing with mixture models, there are many issues that the experimenter should be aware of and…
Atom probe tomography (APT) has matured to a versatile nanoanalytical characterization tool with applications that range from materials science to geology and possibly beyond. Already, well over 100 APT microscopes exist worldwide.…
This paper introduces ENFrame, a unified data processing platform for querying and mining probabilistic data. Using ENFrame, users can write programs in a fragment of Python with constructs such as bounded-range loops, list comprehension,…
We introduce qprof, a new and extensible quantum program profiler able to generate profiling reports of various quantum circuits. We describe the internal structure and working of qprof and provide three practical examples on practical…
The open-source nonlinear solver Ipopt (https://projects.coin-or.org/Ipopt) is a widely-used software package for the solution of large-scale non-linear optimization problems. At its heart, it employs a third-party linear solver to solve a…
TPEcalc is a C++ program for calculation of two-photon exchange (TPE) amplitudes in elastic electron-hadron scattering, based on the dispersion method. It is a command-line tool which accepts kinematical parameters (Q^2 and epsilon) as…
AES, Advanced Encryption Standard, can be considered the most widely used modern symmetric key encryption standard. To encrypt/decrypt a file using the AES algorithm, the file must undergo a set of complex computational steps. Therefore a…
Electromagnetic-Cascades (EmCa) is a Python package for the simulation of electromagnetic cascades in various materials. The showers are modeled using cascade equations and the relevant interactions, specifically pair production,…
The analysis of complex multiphysics astrophysical simulations presents a unique and rapidly growing set of challenges: reproducibility, parallelization, and vast increases in data size and complexity chief among them. In order to meet…
We consider the following problem: given a program, find tight asymptotic bounds on the values of some variables at the end of the computation (or at any given program point) in terms of its input values. We focus on the case of…
The modern scale of data has brought new challenges to Bayesian inference. In particular, conventional MCMC algorithms are computationally very expensive for large data sets. A promising approach to solve this problem is embarrassingly…
Particle filtering is a numerical Bayesian technique that has great potential for solving sequential estimation problems involving non-linear and non-Gaussian models. Since the estimation accuracy achieved by particle filters improves as…
We present an open-source code for the simulation of electron and ion transport for user-defined gas mixtures with static uniform electric and magnetic fields. The program provides microscopic interaction simulation and is interfaced with…
This paper introduces a tool for verifying Python programs, which, using type annotation and front-end processing, can harness the capabilities of a bounded model-checking (BMC) pipeline. It transforms an input program into an abstract…
Scanning transmission electron microscopy (STEM) is an extremely versatile method for studying materials on the atomic scale. Many STEM experiments are supported or validated with electron scattering simulations. However, using the…