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Machine learning of atomic-scale properties is revolutionizing molecular modelling, making it possible to evaluate inter-atomic potentials with first-principles accuracy, at a fraction of the costs. The accuracy, speed and reliability of…
Advanced Persistent Threats (APTs) are among the most challenging cyberattacks to detect. They are carried out by highly skilled attackers who carefully study their targets and operate in a stealthy, long-term manner. Because APTs exhibit…
Atom probe tomography (APT) is ideally suited to characterize and understand the interplay of chemical segregation and microstructure in modern multicomponent materials. Yet, the quantitative analysis typically relies on human expertise to…
Machine learning-based interatomic potentials and force fields depend critically on accurate atomic structures, yet such data are scarce due to the limited availability of experimentally resolved crystals. Although atomic-resolution…
Segment Anything Model (SAM) is drastically accelerating the speed and accuracy of automatically segmenting and labeling large Red-Green-Blue (RGB) imagery datasets. However, SAM is unable to segment and label images outside of the visible…
Quantitative molecular imaging is central to treatment response assessment in oncology, yet clinical practice remains largely dominated by patient-level or limited target-lesion criteria that ignore inter-lesion heterogeneity. This…
The identification of top quark decays where the top quark has a large momentum transverse to the beam axis, known as $top$ $tagging$, is a crucial component in many measurements of Standard Model processes and searches for beyond the…
Grain boundaries (GBs) are planar lattice defects that govern the properties of many types of polycrystalline materials. Hence, their structures have been investigated in great detail. However, much less is known about their chemical…
We present a new use of Answer Set Programming (ASP) to discover the molecular structure of chemical samples based on the relative abundance of elements and structural fragments, as measured in mass spectrometry. To constrain the…
While there are many different methods for peak detection, no automatic methods for marking peak boundaries to calculate area under the curve (AUC) and signal-to-noise ratio (SNR) estimation exist. An algorithm for the automation of liquid…
Atom probe tomography (APT) helps elucidate the link between the nanoscale chemical variations and physical properties, but it has limited structural resolution. Field ion microscopy (FIM), a predecessor technique to APT, is capable of…
Advanced Persistent Threats (APTs) pose a significant challenge in cybersecurity due to their stealthy and long-term nature. Modern supervised learning methods require extensive labeled data, which is often scarce in real-world…
Mass spectrometry is a widespread approach to work out what are the constituents of a material. Atoms and molecules are removed from the material and collected, and subsequently, a critical step is to infer their correct identities based…
Quantum process tomography (QPT), used to estimate the linear map that best describes a quantum operation, is usually performed using a priori assumptions about state preparation and measurement (SPAM), which yield a biased and inconsistent…
Tendencies in five main branches of atomic spectrometry (absorption, emission, mass, fluorescence and ionization spectrometry) are considered. The first three techniques are the most widespread and universal, with the best sensitivity…
Entangled two-photon absorption (eTPA) has been recognized as a potentially powerful tool for the implementation of ultra-sensitive spectroscopy. Unfortunately, there exists a general agreement in the quantum optics community that…
Atom probe tomography is frequently employed to characterize the elemental distribution in solids with atomic resolution. Here we review and discuss the potential of this technique to locally probe chemical bonds. Two processes characterize…
Atom probe tomography is a powerful tools in investigating nanostructures such as interfaces and nanoparticles in material science. Advanced analysis tools are particularly useful for analyzing these nanostructures characterized very often…
Atom probe tomography is often introduced as providing "atomic-scale" mapping of the composition of materials and as such is often exploited to analyse atomic neighbourhoods within a material. Yet quantifying the actual spatial performance…
Mass spectrometry provides a high-throughput approach to identify proteins in biological samples. A key step in the analysis of mass spectrometry data is to identify the peptide sequence that, most probably, gave rise to each observed…