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Volumetric crystal structure indexing and orientation mapping are key data processing steps for virtually any quantitative study of spatial correlations between the local chemistry and the microstructure of a material. For electron and…

Computational Physics · Physics 2020-09-03 Markus Kühbach , Matthew Kasemer , Baptiste Gault , Andrew Breen

Spectral imaging is a method in medical x-ray imaging to extract information about the object constituents by the material-specific energy dependence of x-ray attenuation. Contrast-enhanced spectral imaging has been thoroughly investigated,…

Medical Physics · Physics 2021-01-26 Erik Fredenberg , Magnus Aslund , Bjorn Cederstrom , Mats Lundqvist , Mats Danielsson

Computationally expensive Radiative Transfer Models (RTMs) are widely used} to realistically reproduce the light interaction with the Earth surface and atmosphere. Because these models take long processing time, the common practice is to…

Hydrodynamical simulations are increasingly able to accurately model physical systems on stellar, galactic, and cosmological scales, however, the utility of these simulations is often limited by our ability to directly compare them with the…

Instrumentation and Methods for Astrophysics · Physics 2017-09-26 Cameron Hummels , Britton Smith , Devin Silvia

Smoke segmentation is critical for wildfire management and industrial safety applications. Traditional visible-light-based methods face limitations due to insufficient spectral information, particularly struggling with cloud interference…

Computer Vision and Pattern Recognition · Computer Science 2026-02-12 Lujian Yao , Haitao Zhao , Xianghai Kong , Yuhan Xu

Laser enhanced field evaporation of surface atoms in Laser-assisted Atom Probe Tomography (La-APT) can simultaneously excite phtotoluminescence in semiconductor or insulating specimens. An atom probe equipped with appropriate focalization…

Multi-index models provide a popular framework to investigate the learnability of functions with low-dimensional structure and, also due to their connections with neural networks, they have been object of recent intensive study. In this…

Machine Learning · Statistics 2025-06-11 Filip Kovačević , Yihan Zhang , Marco Mondelli

The use of machine learning is becoming increasingly common in computational materials science. To build effective models of the chemistry of materials, useful machine-based representations of atoms and their compounds are required. We…

Materials Science · Physics 2021-08-02 Luis M. Antunes , Ricardo Grau-Crespo , Keith T. Butler

A new web-server called The Molecule Calculator (MolCalc) is presented. The entry page is a molecular editor (JSmol) for interactive molecule building. The resulting structure can then be used to estimate molecular properties such as heats…

Chemical Physics · Physics 2013-07-15 Jan H. Jensen , Jimmy C. Kromann

Spectral clustering is a leading and popular technique in unsupervised data analysis. Two of its major limitations are scalability and generalization of the spectral embedding (i.e., out-of-sample-extension). In this paper we introduce a…

Machine Learning · Statistics 2024-11-06 Uri Shaham , Kelly Stanton , Henry Li , Boaz Nadler , Ronen Basri , Yuval Kluger

Spectro Capture is a Python-based software system developed to automate small- observatory fibre-fed spectroscopy. The system integrates target selection, telescope slewing, guide star acquisition, fibre position restoration, calibration…

Instrumentation and Methods for Astrophysics · Physics 2026-05-20 Paul Luckas

The application of molecular dynamics (MD) simulations to the interpretation of Raman scattering spectra is hindered by inability of atomistic simulations to account for the dynamic evolution of electronic polarizability, requiring the use…

Materials Science · Physics 2023-04-18 Atanu Paul , Anthony Ruffino , Stefan Masiuk , Jonathan Spanier , Ilya Grinberg

Spectral type recognition is an important and fundamental step of large sky survey projects in the data reduction for further scientific research, like parameter measurement and statistic work. It tends out to be a huge job to manually…

Instrumentation and Methods for Astrophysics · Physics 2014-04-25 Hailong Yuan , Haotong Zhang , Yanxia Zhang , Yajuan Lei , Yiqiao Dong , Yongheng Zhao

Optical properties in solids, such as refractive index and absorption, hold vast applications ranging from solar panels to sensors, photodetectors, and transparent displays. However, first-principles computation of optical properties from…

Materials Science · Physics 2024-06-25 Nguyen Tuan Hung , Ryotaro Okabe , Abhijatmedhi Chotrattanapituk , Mingda Li

Although Raman spectroscopy is widely used for the investigation of biomedical samples and has a high potential for use in clinical applications, it is not common in clinical routines. One of the factors that obstruct the integration of…

Data Analysis, Statistics and Probability · Physics 2022-01-20 Darina Storozhuk , Oleg Ryabchykov , Juergen Popp , Thomas Bocklitz

The paper demonstrates the design and execution of a low-cost optical spectrometer that employs a webcam, diffraction grating & Python (a free, open-source programming language). The device's design prioritized economy and usability, with a…

Self-adjoint operators on infinite-dimensional spaces with continuous spectra are abundant but do not possess a basis of eigenfunctions. Rather, diagonalization is achieved through spectral measures. The SpecSolve package [SIAM Rev., 63(3)…

Numerical Analysis · Mathematics 2022-01-06 Matthew J. Colbrook , Andrew Horning

Homemade spectrometers are commonly used tools to analyze light sources and determine its physical characteristics. We perform an assessment of homemade spectrometers in terms of spectral resolution and accuracy in the determination of…

Physics Education · Physics 2022-01-19 Ana R. Romero Castellannos , H. E. Castellanos , C. E. Alvarez-Salazar

Miniaturized spectrometry system is playing an essential role for materials analysis in the development of in-situ or portable sensing platforms across research and industry. However, there unavoidably exists trade-offs between the…

We present a simple, analytic model for pump-probe spectroscopy in dilute atomic gases. Our model treats multilevel atoms, takes several broadening mechanisms into account and, with no free parameters, shows excellent agreement with…

Atomic Physics · Physics 2010-08-20 M. Himsworth , T. Freegarde