Related papers: atomSmltr: a modular Python package to simulate la…
We explore the possibility of decelerating and Doppler cooling an ensemble of tree-level $\Lambda$-type atoms by a coherent train of short, non-overlapping laser pulses. We show that $\Lambda$-atoms can be Doppler cooled without additional…
Room temperature ionic liquids (RTILs) are solvent with unusual properties, which are difficult to characterize experimentally because of their intrinsic complexity (large number of atoms, strong Coulomb interactions). Molecular simulations…
Laser cooling and trapping of lanthanides has opened the possibility to carry out new experiments with ultracold dipolar gases, for example for quantum simulation of solid state physics. To identify new suitable candidates for…
Thermal and magneto-thermal simulations are an important tool for advancing understanding of neutron stars, as they allow us to compare models of their internal structure and physical processes against observations constraining macroscopic…
Many protocols in quantum science and technology require initializing a system in a pure quantum state. In the context of the motional state of massive resonators, this enables studying fundamental physics at the elusive quantum-classical…
Precision measurements in molecules have advanced rapidly in recent years through developments in techniques to cool, trap, and control. The complexity of molecules makes them a challenge to study, but also offers opportunities for enhanced…
We have designed and implemented a straightforward method to deterministically measure the temperature of the selected segment of a cold atom ensemble, and we have also developed an upgrade in the form of nondestructive thermometry. The…
We present OpenMM-Python-Force, a plugin designed to extend OpenMM's functionality by enabling integration of energy and force calculations from external Python programs via a callback mechanism. During molecular dynamics simulations, data…
We show that it is possible to cool interacting pairs of atoms by a lin $\perp$ lin Sisyphus-like laser cooling scheme using counter-propagating photoassociation (PA) lasers. It is shown that the center-of-mass motion (c.m.) of atom pairs…
Neutral atoms trapped by laser light are amongst the most promising candidates for storing and processing information in a quantum computer or simulator. The application certainly calls for a scalable and flexible scheme for addressing and…
QMCPACK is an open source quantum Monte Carlo package for ab-initio electronic structure calculations. It supports calculations of metallic and insulating solids, molecules, atoms, and some model Hamiltonians. Implemented real space quantum…
Sintering, as a thermal process at elevated temperature below the melting point, is widely used to bond contacting particles into engineering products such as ceramics, metals, polymers, and cemented carbides. Modelling and simulation as…
We propose a novel experimental probe for cold atomic gases analogous to the scanning tunnelling microscope (STM) in condensed matter. This probe uses the coherent coupling of a single particle to the system. Depending on the measurement…
Alloy cluster expansions (CEs) provide an accurate and computationally efficient mapping of the potential energy surface of multi-component systems that enables comprehensive sampling of the many-dimensional configuration space. Here, we…
We present the python package DiPolMol-Py, which can be used to calculate the rotational and hyperfine structure of $^2\Sigma$ molecules. The calculations can be performed in the presence of dc magnetic fields, dc electric fields and far…
The proton radiography diagnostic is widely used in laser-plasma experiments to make magnetic field measurements. Recent developments in analysis have enabled quantitative reconstruction of path-integrated magnetic field values, but making…
CMasher is a Python package that provides a curated collection of scientific colormaps, showcased in the online documentation (https://cmasher.readthedocs.io). The colormaps in CMasher are all designed to be perceptually uniform sequential…
To facilitate the study of solar active regions and flaring loops, we have created a modeling framework, the freely distributed GX Simulator IDL package, that combines 3D magnetic and plasma structures with thermal and non-thermal models of…
PyMembrane is a software package for simulating liquid and elastic membranes using a discretisation of the continuum description based on unstructured triangulated two-dimensional meshes embedded in three-dimensional space. The package is…
In current electronic structure research endeavors such as warm dense matter or machine learning applications, efficient development necessitates non-monolithic software, providing an extendable and flexible interface. The open-source idea…