Related papers: A Portal for High-Precision Atomic Data and Comput…
Powerful detectors at modern experimental facilities routinely collect data at multiple GB/s. Online analysis methods are needed to enable the collection of only interesting subsets of such massive data streams, such as by explicitly…
Sub-micrometer scale light patterns play a pivotal role in various fields, including biology, biophysics, and AMO physics. High-resolution, in situ observation of light profiles is essential for their design and application. However,…
Technologies for manipulating single atoms have advanced drastically in the past decades. Due to their excellent controllability of internal states, atoms serve as one of the ideal platforms as quantum systems. One major research direction…
Recently, persistent homology has had tremendous success in biomolecular data analysis. It works by examining the topological relationship or connectivity of a group of atoms in a molecule at a variety of scales, then rendering a family of…
Power awareness is fast becoming immensely important in computing, ranging from the traditional High Performance Computing applications, to the new generation of data centric workloads. In this work we describe our efforts towards a power…
We introduce SurfFlow, an open-source high-throughput workflow package designed for automated first-principles calculations of surface energies in arbitrary crystals. Our package offers a comprehensive solution capable of handling…
This review is devoted to precision physics of simple atoms. The atoms can essentially be described in the framework of quantum electrodynamics (QED), however, the energy levels are also affected by the effects of the strong interaction due…
Optical atomic clocks using highly-charged ions hold an intriguing promise of metrology at the 19th significant figure. Here we study transitions within the $4f^{12}$ ground-state electronic configuration of highly charged ions. We consider…
The simulation of ion-atom collisions remains a formidable challenge due to the complex interplay between electronic and nuclear degrees of freedom. We present a hybrid quantum-classical computing framework for simulating time-dependent…
Engineered ultracold atomic systems are a valuable platform for fundamental quantum mechanics studies and the development of quantum technologies. At near zero absolute temperature, atoms exhibit macroscopic phase coherence and collective…
The optimization of composition and processing to obtain materials that exhibit desirable characteristics has historically relied on a combination of scientist intuition, trial and error, and luck. We propose a methodology that can…
One of the great challenges of modern science is to faithfully model, and understand, matter at a wide range of scales. Starting with atoms, the vastness of the space of possible configurations poses a formidable challenge to any simulation…
The modeling of physical processes is an integral part of scientific and technical research. In this area, the Extendible C++ Application in Quantum Technologies (ECAQT) package provides the numerical simulations and modeling of complex…
A new approach is presented to obtain candidate structures from atomic pair distribution function (PDF) data in a highly automated way. It fetches, from web-based structural databases, all the structures meeting the experimenter's search…
This workshop brought together scientists (including atomic physicists, theoretical astrophysicists and astronomers) concerned with the completeness and accuracy of atomic data for astrophysical applications. The topics covered in the…
We describe the creation of a new Atomic and Molecular Physics science gateway (AMPGateway). The gateway is designed to bring together a subset of the AMP community to work collectively to make their codes available and easier to use by the…
Information about the physical properties of astrophysical objects cannot be measured directly but is inferred by interpreting spectroscopic observations in the context of atomic physics calculations. Ratios of emission lines, for example,…
This paper corresponds to an invited oral contribution to the session 5A organised by the IAU inter-commission B2-B5 working group (WG) "Laboratory Astrophysics Data Compilation, Validation and Standardization: from the Laboratory to FAIR…
The ab initio quasirelativistic Hartree-Fock method developed specifically for the calculation of spectral parameters of heavy atoms and highly charged ions was applied to determine atomic data for tungsten ions. The correlation effects…
Developing robust representations of chemical structures that enable models to learn topological inductive biases is challenging. In this manuscript, we present a representation of atomistic systems. We begin by proving that our…