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Determining atomic structure from spectroscopic data is central to materials science but remains restricted to a limited set of techniques and material classes, largely due to the computational cost and complexity of structural refinement.…
The increasing availability of high-quality optical and near-infrared spectroscopic data, as well as advances in modelling techniques, have greatly expanded the scientific potential of spectroscopic studies. However, the software tools…
The modernization of the Common Agricultural Policy (CAP) requires the large scale and frequent monitoring of agricultural land. Towards this direction, the free and open satellite data (i.e., Sentinel missions) have been extensively used…
Photomultiplier tube (PMT) voltage waveforms are the raw data of many neutrino and dark matter experiments. Waveform analysis is the cornerstone of data processing. We evaluate the performance of all the waveform analysis algorithms known…
Cryo-electron tomography (cryo-ET) is uniquely suited to precisely localize macromolecular complexes in situ, that is in a close-to-native state within their cellular compartments, in three-dimensions at high resolution. Point pattern…
An exponential increase in the performance of silicon microelectronics and the demand to manufacture in great volumes has created an ecosystem that requires increasingly complex tools to fabricate and characterize the next generation of…
This study presents a comprehensive workflow for investigating particulate materials through combined 360{\deg} electron tomography (ET), nano-computed X-ray tomography (nanoCT), and micro-computed X-ray tomography (microCT), alongside a…
Computer simulation has become one of the most important tools in scientific research in many disciplines. Benefiting from the dynamical trajectories regulated by versatile interatomic interactions, various material properties can be…
The scanning transmission electron microscope, a workhorse instrument in materials characterization, is being transformed into an atomic-scale material manipulation platform. With an eye on the trajectory of recent developments and the…
Ensuring the reproducibility of scientific work is crucial as it allows the consistent verification of scientific claims and facilitates the advancement of knowledge by providing a reliable foundation for future research. However,…
We present the AMBiT software package for general atomic structure calculations. This software implements particle-hole configuration interaction with many-body perturbation theory (CI+MBPT) for fully relativistic calculations of atomic…
We extended our simulation tool Ntccrt for probabilistic ntcc (pntcc) models. In addition, we developed a verification tool for pntcc models. Using this tool we can prove properties such as the system will go to a successful state with…
Searching for geometric objects that are close in space is a fundamental component of many applications. The performance of search algorithms comes to the forefront as the size of a problem increases both in terms of total object count as…
The increased usage of Internet of Things devices at the network edge and the proliferation of microservice-based applications create new orchestration challenges in Edge computing. These include detecting overutilized resources and scaling…
Introduction. Treatment planning systems (TPS) are an essential component for simulating and optimizing a radiation therapy treatment before administering it to the patient. It ensures that the tumor is well covered and the dose to the…
We discuss the design and software implementation of a nuclear data evaluation pipeline applied for a fully reproducible evaluation of neutron-induced cross sections of $^{56}$Fe above the resolved resonance region using the nuclear model…
Prokaryotic organisms usually possess compact genomes, which are particularly suitable to complete sequencing with existing technologies, which led to an escalating accumulation of available genome data. In response to this ever-expanding…
The ability to rapidly evaluate materials properties through atomistic simulation approaches is the foundation of many new artificial intelligence-based approaches to materials identification and design. This depends on the availability of…
Atomic force microscopy (AFM) is widely used to measure surface topography of solid, soft, and living matter at the nanoscale. Moreover, by mapping forces as a function of distance to the surface, AFM can provide a wealth of information…
Scientists are drawn to synchrotrons and accelerator based light sources because of their brightness, coherence and flux. The rate of improvement in brightness and detector technology has outpaced Moore's law growth seen for computers,…