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The orthogonality constraints, including the hard and soft ones, have been used to normalize the weight matrices of Deep Neural Network (DNN) models, especially the Convolutional Neural Network (CNN) and Vision Transformer (ViT), to reduce…

We present an extensive review of the two-dimensional finite difference Hartree--Fock (FD HF) method, and present its implementation in the newest version of X2DHF, the FD HF program for atoms and diatomic molecules. The program was…

Covalent Organic Frameworks (COFs) have gained significant popularity in recent years due to their unique ability to provide a high surface area and customizable pore geometry and chemistry. These traits make COFs a highly promising choice…

This document specifies a standard format for vocabularies based on the W3C's Resource Description Framework (RDF) and Simple Knowledge Organization System (SKOS). By adopting a standard and simple format, the IVOA will permit different…

We present a real-space formulation and higher-order finite-difference implementation of periodic Orbital-free Density Functional Theory (OF-DFT). Specifically, utilizing a local reformulation of the electrostatic and kernel terms, we…

Numerical simulations of flows are required for numerous applications, and are usually carried out using shallow water equations. We describe the FullSWOF software which is based on up-to-date finite volume methods and well-balanced schemes…

Soft robots, particularly magnetic soft robots, require specialized simulation tools to accurately model their deformation under external magnetic fields. However, existing platforms often lack dedicated support for magnetic materials,…

We present htof, an open-source tool for interpreting and fitting the intermediate astrometric data (IAD) from both the 1997 and 2007 reductions of Hipparcos, the scanning-law of Gaia, and future missions such as the Nancy Grace Roman Space…

This paper presents DDF2Pol, a lightweight dual-domain convolutional neural network for PolSAR image classification. The proposed architecture integrates two parallel feature extraction streams, one real-valued and one complex-valued,…

EASY-II is designed as a functional replacement for the previous European Activation System, EASY-2010. It has extended nuclear data and new software, FISPACT-II, written in object-style Fortran to provide new capabilities for predictions…

An efficient O($N$) divide-conquer (DC) method based on localized natural orbitals (LNOs) is presented for large-scale density functional theories (DFT) calculations of gapped and metallic systems. The LNOs are non-iteratively calculated by…

Astronomical observations place increasingly tighter and more diverse constraints on the properties of neutron stars (NS). Examples include observations of radio or gamma-ray pulsars, accreting neutron stars and x-ray bursts, magnetar giant…

We describe here a library aimed at automating the solution of partial differential equations using the finite element method. By employing novel techniques for automated code generation, the library combines a high level of expressiveness…

Perturbative treatments of the lattice dynamics are widely successful for many crystalline materials, their applicability is, however, limited for strongly anharmonic systems, metastable crystal structures and liquids. The full dynamics of…

Recent advances in computational materials science present novel opportunities for structure discovery and optimization, including uncovering of unsuspected compounds and metastable structures, electronic structure, surface, and…

Neural Radiance Field (NeRF) and its variants have exhibited great success on representing 3D scenes and synthesizing photo-realistic novel views. However, they are generally based on the pinhole camera model and assume all-in-focus inputs.…

In silico materials design is hampered by the computational complexity of Kohn-Sham DFT, which scales cubically with the system size. Owing to the development of new-generation kinetic energy density functionals (KEDFs), orbital-free DFT…

The TU Delft Astrodynamics Toolbox (Tudat) is a free open-source software suite for research and education in astrodynamics. Initially focused on numerical simulations of orbital dynamics and state estimation, it enables combining optical…

We present the software framework underlying the NNPDF4.0 global determination of parton distribution functions (PDFs). The code is released under an open source licence and is accompanied by extensive documentation and examples. The code…

Geospatial Foundation Models (GeoFMs) are transforming Earth Observation (EO), but evaluation lacks standardized protocols. GEO-Bench-2 addresses this with a comprehensive framework spanning classification, segmentation, regression, object…