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Mass Spectrometry (MS) is a largely used analytical technique in biology with applications such as the determination of molecule masses or the elucidation of structural data. Fourier Transform Ion Cyclotron Resonance MS is one…
Quantum tomography is an essential method of the photonic technology toolbox and is routinely used for evaluation of experimentally prepared states of light and characterization of devices transforming such states. The tomography procedure…
On-surface metal porphyrins can undergo electronic and conformational changes that play a crucial role in determining the chemical reactivity of the molecular layer. Therefore, understanding those properties is pivotal for the design and…
Molecular absorption and photo-electron spectra can be efficiently predicted with real-time time-dependent density-functional theory (TDDFT). We show here how these techniques can be easily extended to study time-resolved pump-probe…
The photoacoustic tomography (PAT) is a hybrid modality that combines the optics and acoustics to obtain high resolution and high contrast imaging of heterogeneous media. In this work, our objective is to study the inverse problem in the…
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…
Device architectures and dimensions are now at an unimaginable level not thought possible even 10 years ago. The continued downscaling, following the so-called Moore's law, has motivated the development and use of extreme ultraviolet (EUV)…
Electromagnetic scattering and absorption by material particles is a fundamental physical problem with a broad range of applications, going from laboratory experiments, biology and material sciences, all the way up to environmental studies…
Accounting for nuclear quantum effects (NQEs) can significantly alter material properties at finite temperatures. Atomic modeling using the path-integral molecular dynamics (PIMD) method can fully account for such effects, but requires…
Background: Automated podocyte foot process quantification is vital for kidney research, but the established "Automatic Morphological Analysis of Podocytes" (AMAP) method is hindered by high computational demands, a lack of a user…
In silico materials design is hampered by the computational complexity of Kohn-Sham DFT, which scales cubically with the system size. Owing to the development of new-generation kinetic energy density functionals (KEDFs), orbital-free DFT…
Two-photon absorption photoacoustic tomography (TP-PAT) is a recent hybrid imaging modality that aims at reconstructing two-photon absorption properties of heterogeneous media from measured ultrasound signals generated by the photoacoustic…
Proper photometric data are challenging to obtain in the K2 mission of the Kepler space telescope due to strong systematics caused by the two-wheel-mode operation. It is especially true for variable stars wherein physical phenomena occur on…
It is generally assumed that every process in quantum physics can be described mathematically by a completely positive map. However, experimentally reconstructed processes are not necessarily completely positive due to statistical or…
To support the development of the data processing pipeline and the scientific performance assessment for the Cool Planet Imaging Coronagraph (CPI-C) on the Chinese Space Station Survey Telescope (CSST), we have developed the end-to-end…
A new method of quantum state tomography for quantum information processing is described. The method based on two-dimensional Fourier transform technique involves detection of all the off-diagonal elements of the density matrix in a…
The progress of designing organic semiconductors is extensively dependent on the quality of prepared organic molecular assemblies, since the charge transport mechanism is strongly efficient in highly ordered crystals compared to amorphous…
The wavelet scattering transform is an invariant signal representation suitable for many signal processing and machine learning applications. We present the Kymatio software package, an easy-to-use, high-performance Python implementation of…
The totally asymmetric simple exclusion process (TASEP), which describes the stochastic dynamics of interacting particles on a lattice, has been actively studied over the past several decades and applied to model important biological…
Quantum state tomography (QST) is typically performed from a frequentist viewpoint using maximum likelihood estimation (MLE) which seeks to find the best plausible state consistent with the data by maximizing a likelihood function /…