Related papers: A Portal for High-Precision Atomic Data and Comput…
We introduce a computer program to simulate the results of neutron powder-diffraction experiments at the High Flux Isotope Reactor at Oak Ridge National Laboratory. The program is freely available as a web application at…
Using recently developed version of the configuration interaction method for atoms with open shells we calculate electron structure and spectroscopic properties of the mendelevium atom (Md, $Z=101$). These include energy levels, first and…
Atomistic simulations have become a powerful tool in materials research due to the extremely fine spatial and temporal resolution provided by such techniques. In order to understand the fundamental principles which govern material behavior…
High Performance Computing (HPC), Artificial Intelligence (AI)/Machine Learning (ML), and Quantum Computing (QC) and communications offer immense opportunities for innovation and impact on society. Researchers in these areas depend on…
The quality of electricity system modelling heavily depends on the input data used. Although a lot of data is publicly available, it is often dispersed, tedious to process and partly contains errors. We argue that a central provision of…
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.…
Sintering of alumina nanoparticles is of interest both from the view of fundamental research as well as for industrial applications. Atomistic simulations are tailor-made for understanding and predicting the time- and temperature-dependent…
Autoplot is software developed for the Virtual Observatories in Heliophysics to provide intelligent and automated plotting capabilities for many typical data products that are stored in a variety of file formats or databases. Autoplot has…
A central concern of molecular dynamics simulations are the potential energy surfaces that govern atomic interactions. These hypersurfaces define the potential energy of the system, and have generally been calculated using either predefined…
The CODATA recommended values of the fundamental constants are widely applied in particle, nuclear and atomic physics. They are a result of a complicated evaluation (adjustment) of numerous correlated data of different nature. Their…
The demands of cutting-edge science are driving the need for larger and faster computing resources. With the rapidly growing scale of computing systems and the prospect of technologically disruptive architectures to meet these needs,…
The new statistical approach for calculation of radiation processes with heavy multielectron ions in plasma is developed. The method consists in consideration of atomic structure as a condensed medium, characterized by the spectrum of…
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…
Quantum computing promises substantial speedups by exploiting quantum mechanical phenomena such as superposition and entanglement. Corresponding design methods require efficient means of representation and manipulation of quantum…
Narrow linewidth optical atomic transitions provide a valuable resource for frequency metrology, and form the basis of today's most precise and accurate clocks. Recent experiments have demonstrated that ensembles of atoms can be interfaced…
An effective method for the quantitative description of the electronic excited states of polyatomic systems is developed by using computer technology. The proposed method allows calculating various properties of matter at the atomic level…
The Atomic Cluster Expansion (Drautz, Phys. Rev. B 99, 2019) provides a framework to systematically derive polynomial basis functions for approximating isometry and permutation invariant functions, particularly with an eye to modelling…
A method for integrating the chemical equations associated with nuclear combustion at high temperature is presented and extensively checked. Following the idea of E. M\"uller, the feedback between nuclear rates and temperature was taken…
A theoretical approach was developed for an exact numerical description of a pair of ultracold atoms interacting via a central potential that are trapped in a three-dimensional optical lattice. The coupling of center-of-mass and…
A high-energy e+e- collider, such as the ILC or CLIC, is arguably the best option to complement and extend the LHC physics programme. A lepton collider will allow for exploration of Standard Model Physics, such as precise measurements of…