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Experiments that compare rhythmic properties across different genetic alterations and entrainment conditions underlie some of the most important breakthroughs in circadian biology. A robust estimation of the rhythmic properties of the…
PyDislocDyn is a suite of python programs designed to perform various calculations for basic research in dislocation dynamics in metals with various crystal symmetries in the continuum limit. In particular, one of its main purposes is to…
Electron-beam microscopy and spectroscopy featuring atomic-scale spatial resolution have become essential tools used daily in almost all branches of nanoscale science and technology. As a natural supercontinuum source of light, free…
Electron Spin Resonance (ESR) describes a suite of techniques for characterising electronic systems, with applications in physics, materials science, chemistry, and biology. However, the requirement for large electron spin ensembles in…
The PyProcar Python package plots the band structure and the Fermi surface as a function of site and/or s,p,d,f - projected wavefunctions obtained for each $k$-point in the Brillouin zone and band in an electronic structure calculation.…
Seismic data is often sparse and unevenly distributed due to the high costs and logistical challenges associated with deploying physical seismometers, limiting the application of Machine Learning (ML) in earthquake analysis. While…
Whisking is a rhythmic and adaptive behavior that rodents use to probe and interact with their environment, and the frequency of movement reflects both sensorimotor processing and internal brain states. A robust and traditional method of…
We introduce turboEELS, an implementation of the Liouville-Lanczos approach to linearized time-dependent density-functional theory, designed to simulate electron energy loss and inelastic X-ray scattering spectra in periodic solids.…
Physiological signals are often corrupted by motion artifacts, baseline drift, and other low-SNR disturbances, which pose significant challenges for analysis. Additionally, these signals exhibit strong non-stationarity, with sharp peaks and…
Autonomous robots typically incorporate complex sensors in their decision-making and control loops. These sensors, such as cameras and Lidars, have imperfections in their sensing and are influenced by environmental conditions. In this…
We present PyWiFeS, a new Python-based data reduction pipeline for the Wide Field Spectrograph (WiFeS). PyWiFeS consists of a series of core data processing routines built on standard scientific Python packages commonly used in astronomical…
Time-resolved photoemission spectroscopy is the key technique to probe the real-time non-equilibrium dynamics of electronic states. Theoretical predictions of the time dependent spectral function for realistic systems is however, a…
Swift electrons passing near or through metallic structures have proven to be an excellent tool for studying plasmons and other types of confined optical modes involving collective charge oscillations in the materials hybridized with…
Recent advances in (scanning) transmission electron microscopy have enabled routine generation of large volumes of high-veracity structural data on 2D and 3D materials, naturally offering the challenge of using these as starting inputs for…
This work provides the community with an easily executable open-source Python package designed to automize the evaluation of Interfacial Phonons (InterPhon). Its strategy of arbitrarily defining the interfacial region and periodicity…
Transmission electron microscopy and spectroscopy currently enable the acquisition of spatially resolved spectral information from a specimen by focusing electron beams down to a sub-Angstrom spot and then analyzing the energy of the…
A machine learning algorithm for partitioning the nuclear vibrational space into subspaces is introduced. The subdivision criterion is based on Liouville's theorem, i.e. best preservation of the unitary of the reduced dimensionality…
Development of scientific software involves tradeoffs between ease of use, generality, and performance. We describe the design of a general hyperbolic PDE solver that can be operated with the convenience of MATLAB yet achieves efficiency…
Scanning transmission electron microscopy (STEM) is an extremely versatile method for studying materials on the atomic scale. Many STEM experiments are supported or validated with electron scattering simulations. However, using the…
Vibrational spectroscopy is a cornerstone technique for molecular characterization and offers an ideal target for the computational investigation of molecular materials. Building on previous comprehensive assessments of efficient methods…