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We present a new numerical relativity code designed for simulations of compact binaries involving matter. The code is an upgrade of the BAM code to include general relativistic hydrodynamics and implements state-of-the-art…
We introduce a new solution to Glauber multi-spin dynamics on random graphs. The solution is based on the recently introduced Cavity Master Equation (CME), a time-closure turning the in principle exact Dynamic Cavity Method into a practical…
Estimating the effort of software systems is an essential topic in software engineering, carrying out an estimation process reliably and accurately for a software forms a vital part of the software development phases. Many researchers have…
Molecular graph neural networks (GNNs) often focus exclusively on XYZ-based geometric representations and thus overlook valuable chemical context available in public databases like PubChem. This work introduces a multimodal framework that…
Computer algebra algorithms are developed for evaluating the coefficients in Airy-type asymptotic expansions that are obtained from integrals with a large parameter. The coefficients are defined from recursive schemes obtained from…
Granular dampers are systems used to attenuate undesired vibrations produced by mechanical devices. They consist of cavities filled by granular particles. In this work, we consider a granular damper filled with a binary mixture of…
Obtaining a rigorous and reliable method for linking computer simulations of polymer blends and composites at different length scales of interest is a highly desirable goal in soft matter physics. In this paper a multiscale modeling…
The determination of block-entropies is a well established method for the investigation of discrete data, also called symbols (7). There is a large variety of such symbolic sequences, ranging from texts written in natural languages,…
Twisted multilayer graphene, characterized by its moir\'e patterns arising from inter-layer rotational misalignment, serves as a rich platform for exploring quantum phenomena. Machine learning interatomic potentials (MLIPs) are a promising…
Understanding and predicting the thermodynamic properties of point defects in semiconductors and insulators would greatly aid in the design of novel materials and allow tuning the properties of existing ones. As a matter of fact,…
A statistical estimation algorithm of the weight distribution of a linear code is shown, based on using its generator matrix as a compression function on random bit strings.
Pseudospin symmetry in nuclei is investigated by solving the Dirac equation with Woods-Saxon scalar and vector radial potentials. We relate the pseudospin interaction with a pseudospin-orbit term in a Schroedinger-like equation for the…
In atomistic spin dynamics simulations, the time cost of constructing the space- and time-displaced pair correlation function in real space increases quadratically as the number of spins $N$, leading to significant computational effort. The…
This article is a survey on the topic of polynomial amoebas. We review results of papers written on the topic with an emphasis on its computational aspects. Polynomial amoebas have numerous applications in various domains of mathematics and…
Molecular dynamics is a powerful simulation tool to explore material properties. Most of the realistic material systems are too large to be simulated with first-principles molecular dynamics. Classical molecular dynamics has lower…
Abstract: The interaction of dark matter particles (WIMPs) with the odd-mass $^{73}$Ge and $^{131}$Xe target nuclei ,{ {that is the recoil rates corresponding to the elastic scattering of WIMPs by these nuclei}}, is analysed in the context…
We describe the \texttt{Imeall} package for the calculation and indexing of atomistic properties of grain boundaries in materials. The package provides a structured database for the storage of atomistic structures and their associated…
The properties of mesonic resonances can be calculated in terms of the low-energy coefficients of chiral perturbation theory (chiPT) by extending unitarized chiPT to higher energies. On the other hand these low-energy coefficients can be…
We present first-principles, density-functional theory calculations of the NMR chemical shifts for polycyclic aromatic hydrocarbons, starting with benzene and increasing sizes up to the one- and two-dimensional infinite limits of graphene…
We study numerically the process of nuclear spin measurement in a solid-state quantum computer of the type proposed by Kane by modeling the quantum dynamics of two coupled nuclear spins on $^{31}$P donors implanted in silicon. We estimate…