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An early-stage version of simulation package is developed for electronic structure calculation and dynamics of atom process in large-scale systems, particularly, nm-scale or 10nm-scale systems. We adopted the Extensible Markup Language…
While the spectrum of the light emitted by a star can be calculated by simulating the flow of radiation through each layer of the star's atmosphere, this process is computationally expensive. Therefore, it is often far more efficient to…
A lighting-based multispectral imaging system using an RGB camera and a projector is one of the most practical and low-cost systems to acquire multispectral observations for estimating the scene's spectral reflectance information. However,…
Power-spectrum analysis is an important tool providing critical information about a signal. The range of applications includes communication-systems to DNA-sequencing. If there is interference present on a transmitted signal, it could be…
3D scatterplots are a well-established plotting technique that can be used to represent data with three or more dimensions. On paper and computer monitors they are essentially two-dimensional projections of the three-dimensional Cartesian…
Calculating the observable properties of chemical systems is often classically intractable and is widely viewed as a promising application of quantum information processing. Yet one of the most common and important chemical systems in…
We present AstroCLIP, a single, versatile model that can embed both galaxy images and spectra into a shared, physically meaningful latent space. These embeddings can then be used - without any model fine-tuning - for a variety of downstream…
The calculation of potential energy surfaces for quantum dynamics can be a time consuming task -- especially when a high level of theory for the electronic structure calculation is required. We propose an adaptive interpolation algorithm…
Ultrafast spectroscopy is an important tool for studying photoinduced dynamical processes in atoms, molecules, and nanostructures. Typically, the time to perform these experiments ranges from several minutes to hours depending on the choice…
Mass spectrometry is the dominant technology in the field of proteomics, enabling high-throughput analysis of the protein content of complex biological samples. Due to the complexity of the instrumentation and resulting data, sophisticated…
Upcoming large-scale spectroscopic surveys such as WEAVE and 4MOST will provide thousands of spectra of massive stars, which need to be analysed in an efficient and homogeneous way. Studies on massive stars are usually based on samples of a…
Given the necessity of connecting the unconnected, covering blind spots has emerged as a critical task in the next-generation wireless communication network. A direct solution involves obtaining a coverage manifold that visually showcases…
Raman spectroscopy is a promising technique used for noninvasive analysis of samples in various fields of application due to its ability for fingerprint probing of samples at the molecular level. Chemometrics methods are widely used…
A new molecular simulation toolkit composed of some lately developed force fields and specified models is presented to study the self-assembly, phase transition, and other properties of polymeric systems at mesoscopic scale by utilizing the…
Geometric, topological and graph theory modeling and analysis of biomolecules are of essential importance in the conceptualization of molecular structure, function, dynamics, and transport. On the one hand, geometric modeling provides…
We describe an inexpensive instructional experiment that demonstrates the rotational energy levels of diatomic nitrogen, using the emission band spectrum of molecular nitrogen ionized by various processes in a commercial AC capillary…
Atom probe tomography (APT) is a burgeoning characterization technique that provides compositional mapping of materials in three-dimensions at near-atomic scale. Since its significant expansion in the past 30 years, we estimate that one…
A high sensitivity atom flux sensor based on atomic absorption spectroscopy has been designed and implemented to control electron beam evaporators and effusion cells in a molecular beam epitaxy system. Using a high-resolution spectrometer…
Small-molecule identification from tandem mass spectrometry (MS/MS) remains a bottleneck in untargeted settings where spectral libraries are incomplete. While deep learning offers a solution, current approaches typically fall into two…
Interstellar molecules, which play an important role in astrochemistry, are identified using observed spectral lines. Despite the advent of spectral analysis tools in the past decade, the identification of spectral lines remains a tedious…