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The angular power spectrum of the Cosmic Microwave Background (CMB) anisotropies is a key tool to study the Universe. However, it is blind to the presence of non--Gaussianities and deviations from statistical isotropy, which instead can be…
This paper reviews the most recent ARPES results on the cuprate superconductors and their insulating parent and sister compounds, with the purpose of providing an updated summary of the extensive literature in this field. The low energy…
ALHEP is the symbolic algebra program for high-energy physics. It deals with amplitudes calculation, matrix element squaring, Wick theorem, dimensional regularization, tensor reduction of loop integrals and simplification of final…
Fundamental information about the Universe is encoded in anisotropies of the Cosmic Microwave Background (CMB) radiation. To make full use of this information, an experiment must image the entire sky with the angular resolution,…
Real-space refinement of atomic models in macromolecular crystallography or in cryo electron microscopy fits a model to a map obtained experimentally. This requires generating model maps of a limited resolution which moreover may vary from…
We propose a framework to develop cyber solutions to support the remote steering of science instruments and measurements collection over instrument-computing ecosystems. It is based on provisioning separate data and control connections at…
In this paper, we describe the SPHEREx image and spectrophotometry data processing pipeline, an infrastructure and software system designed to produce calibrated spectral images and photometric measurements for NASA's SPHEREx mission.…
QMCPACK is an open source quantum Monte Carlo package for ab-initio electronic structure calculations. It supports calculations of metallic and insulating solids, molecules, atoms, and some model Hamiltonians. Implemented real space quantum…
Electronic circular dichroism is an important optical phenomenon offering insights into chiral molecular materials. On the other hand, metal-organic frameworks (MOFs) are a novel group of crystalline porous thin-film materials that provide…
Axion-like particles (ALPs), hypothetical pseudoscalar particles that couple to photons, are among the most actively investigated candidates for new physics beyond the Standard Model. Their interaction with gamma rays in the presence of…
Procedural material models have been gaining traction in many applications thanks to their flexibility, compactness, and easy editability. We explore the inverse rendering problem of procedural material parameter estimation from…
The photon energy dependence of angle-resolved photoemission data on Ca_2CuO_2Cl_2 is presented, and the role of the matrix element is investigated. It is shown that despite strong variations in the matrix element, the loss in intensity as…
The Active Matter Evaluation Package (AMEP) is a Python library for analyzing simulation data of particle-based and continuum simulations. It provides a powerful and simple interface for handling large data sets and for calculating and…
We develop a model for predicting fine- and hyperfine intensities in the direct photoionization of molecules based on the separability of electron and nuclear spin states from vibrational-electronic states. Using spherical tensor algebra,…
SPARC is an accurate, efficient, and scalable real-space electronic structure code for performing ab initio Kohn-Sham density functional theory calculations. Version 2.0.0 of the software provides increased efficiency, and includes…
CoREAS is a Monte Carlo code for the simulation of radio emission from extensive air showers. It implements the endpoint formalism for the calculation of electromagnetic radiation directly in CORSIKA. As such, it is parameter-free, makes no…
We present a new sink particle algorithm developed for the Adaptive Mesh Refinement code RAMSES. Our main addition is the use of a clump finder to identify density peaks and their associated regions (the peak patches). This allows us to…
MRChem is a code for molecular electronic structure calculations, based on a multiwavelet adaptive basis representation. We provide a description of our implementation strategy and several benchmark calculations. Systems comprising more…
We present the open source Astrophysical Multi-purpose Software Environment (AMUSE, www.amusecode.org), a component library for performing astrophysical simulations involving different physical domains and scales. It couples existing codes…
Background. All-atom crystallographic refinement of proteins is a laborious manually driven procedure, as a result of which, alternative and multiconformer interpretations are not routinely investigated. Results. We describe efficient loop…