Related papers: atomSmltr: a modular Python package to simulate la…
This work introduces ParAMS -- a versatile Python package that aims to make parameterization workflows in computational chemistry and physics more accessible, transparent and reproducible. We demonstrate how ParAMS facilitates the parameter…
An important process for antimatter experiments is the cooling of particles in a Penning-Malmberg trap to experimentally useful temperatures. A non-neutral plasma of one species (e.g. antiprotons) can be collisionally cooled on another…
Generally, the conditions for deep sub-Doppler laser cooling do not match the conditions for the strong atomic localization that takes a place in deeper optical potential and, in consequence, leads to larger temperature. Moreover, for a…
We report on the development of a modular platform for programmable quantum simulation with atomic quantum gases. The platform is centered around exchangeable optical modules with versatile functionalities. The performance of each module is…
We propose to sympathetically slow and cool polar molecules in a cold, low-density beam using laser-cooled Rydberg atoms. The elastic collision cross sections between molecules and Rydberg atoms are large enough to efficiently thermalize…
Condensed matter compounds typically form crystals, which break the rotational and translational invariance of space but remain invariant under a discrete set of symmetry operations. Understanding the effects allowed by this symmetry…
An open-source, Python-based Temporal Analysis of Products (TAP) reactor simulation and processing program is introduced. TAPsolver utilizes algorithmic differentiation for the calculation of highly accurate derivatives, which are used to…
Selective Laser Melting (SLM) is an additive manufacturing technology that builds three dimensional parts by melting layers of metal powder together with a laser that traces out a desired geometry. SLM is popular in industry, however the…
We present PyXtal FF, a package based on Python programming language, for developing machine learning potentials (MLPs). The aim of PyXtal FF is to promote the application of atomistic simulations by providing several choices of structural…
Incorporation of machine learning (ML) techniques into atomic-scale modeling has proven to be an extremely effective strategy to improve the accuracy and reduce the computational cost of simulations. It also entails conceptual and practical…
$\mathtt{qnm}$ is an open-source Python package for computing the Kerr quasinormal mode frequencies, angular separation constants, and spherical-spheroidal mixing coefficients. The $\mathtt{qnm}$ package includes a Leaver solver with the…
Finite-temperature magnetism gives rise to many phenomena in alloy materials, such as magnetic phase transformations, short or medium range order in magnetic alloys, spin waves, critical phenomena, and the magnetocaloric effect. Lattice…
There have been growing discussions on estimating and subsequently reducing the operational carbon footprint of enterprise data centers. The design and intelligent control for data centers have an important impact on data center carbon…
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…
This paper documents package for the particle level fast simulation. The package is designed to complete the AcerMC generator framework with the easy-to-use simulation and reconstruction algorithms. The package provides, starting from list…
This work introduces a new software package `Sesame' for the numerical computation of classical semiconductor equations. It supports 1 and 2-dimensional systems and provides tools to easily implement extended defects such as grain…
We introduce BSMArt, a python program for the exploration of parameter spaces of theories Beyond the Standard Model. Especially designed for use with the SARAH family of tools, it is also sufficiently flexible to be used with a wide variety…
SALMON (Scalable Ab-initio Light-Matter simulator for Optics and Nanoscience, http://salmon-tddft.jp) is a software package for the simulation of electron dynamics and optical properties of molecules, nanostructures, and crystalline solids…
The (py)LIon package is a set of tools to simulate the classical trajectories of ensembles of ions in electrodynamic traps. Molecular dynamics simulations are performed using LAMMPS, an efficient and feature-rich program. (py)LIon has been…
Particle-Mesh (PM) codes are still very useful tools for testing predictions of cosmological models in cases when extra high resolution is not very important. We release for public use a cosmological PM N-body code. We provide a complete…