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ixpeobssim is a simulation and analysis framework, based on the Python programming language and the associated scientific ecosystem, specifically developed for the Imaging X-ray Polarimetry Explorer (IXPE). Given a source model and the…
Heat-capacity measurements are a useful tool for understanding the complex phase behaviour of systems containing one-dimensional motifs. Here we study the signature within such measurements of the incorporation of defects into…
Microwave Imaging is an essential technique for reconstructing the electrical properties of an inaccessible medium. Many approaches have been proposed employing algorithms to solve the Electromagnetic Inverse Scattering Problem associated…
Warm dense matter systems created in the laboratory are highly dynamical. In such cases electron dynamics is often needed to accurately simulate the evolution and properties of the system. Large systems force one to make simple…
Langevin dynamical simulations are performed to investigate the depinning dynamics of a two-dimensional solid dusty plasma, which is modulated by one-dimensional nonlinear deformed periodic substrates, and also driven by the combination of…
The capabilities of a simulation tool for the in-depth analysis of the thermal impacts on the performances of solar cells are described. TASC-1D (Thermal Analysis of Solar Cells - 1D, version cSi) solves the coupled electrical, radiative…
Uranium-based materials are valuable assets in the energy, medical, and military industries. However, understanding their sensitivity to hydrogen embrittlement is particularly challenging due to the toxicity of uranium and computationally…
Unsupervised machine learning methods are used to identify structural changes using the melting point transition in classical molecular dynamics simulations as an example application of the approach. Dimensionality reduction and clustering…
Galactic winds probe how feedback regulates the mass and metallicity of galaxies. Galactic winds have cold gas, which is mainly observable with absorption and emission lines. Theoretically studying how absorption lines are produced requires…
We introduce the particle-hole map (PHM), a visualization tool to analyze electronic excitations in molecules in the time or frequency domain, to be used in conjunction with time-dependent density-functional theory (TDDFT) or other ab…
Stokesian Dynamics (SD) is a powerful computational framework for simulating the motion of particles in a viscous Newtonian fluid under Stokes-flow conditions. Traditional SD implementations can be computationally expensive as they rely on…
It is shown for the first time, that room temperature Ultrasonic Defect Manipulation (UDM) can significantly reduce the concentration of radiation defects in high resistivity silicon. Secondary Ion Mass Spectroscopy revealed that oxygen-…
PDSim is an R package that enables users to simulate commodity futures prices using the polynomial diffusion model introduced in Filipovic & Larsson (2016) through both a Shiny web application and R scripts. For user-supplied data, a…
Twistronics is an emerging and captivating field in condensed matter physics and material science. However, accurately and efficiently calculating the electronic structures of twisted systems remains a significant challenge. To address…
Recently, Dammak and coworkers (H. Dammak, Y. Chalopin, M. Laroche, M. Hayoun, and J.J. Greffet. Quantumthermal bath for molecular dynamics simulation. Phys. Rev. Lett., 103:190601, 2009.) proposed that the quantum statistics of vibrations…
We developed a portable code for dissipative particle dynamics (DPD) simulations. This Fortran program named CAMUS has a couple of notable features. One is the omission of constructing the so-called neighboring particles list, providing a…
This work presents the new template matching capabilities implemented in Pyxem, an open source Python library for analyzing four-dimensional scanning transmission electron microscopy (4D-STEM) data. Template matching is a brute force…
The molecular dynamics simulation code ls1 mardyn is presented. It is a highly scalable code, optimized for massively parallel execution on supercomputing architectures, and currently holds the world record for the largest molecular…
We introduce the Pyramid Diffusion Model (PDM), a novel architecture designed for ultra-high-resolution image synthesis. PDM utilizes a pyramid latent representation, providing a broader design space that enables more flexible, structured,…
A common paradigm used in the construction of equations of state is to decompose the thermodynamics into a superposition of three terms: a static-lattice cold curve, a contribution from the thermal motion of the nuclei, and a contribution…