The computation of matrix functions using quadrature formulas and rational approximations of very large structured matrices using tensor trains (TT), and quantized tensor trains (QTT) is considered here. The focus is on matrices with a small TT/QTT rank. Some analysis of the error produced by the use of the TT/QTT representation and the underlying approximation formula used is also provided.

This paper deals with the solution of an inverse problem for the heat equation aimed at nondestructive evaluation of fractures, emerging on the accessible surface of a slab, by means of Active Thermography. In real life, this surface is heated with a laser and its temperature is measured for a time interval by means of an infrared camera. A fundamental step in iterative inversion methods is the numerical solution of the underlying direct mathematical model.

A composite specimen, made of two slabs and an interface A is heated through one of its sides S, in order to evaluate the thermal conductance H of A. The direct model consists of a system of Initial Boundary Value Problems completed by suitable transmission conditions. Thanks to the properties of multilayer diffusion, we reduce the problem to the slab between A and S only. In this case evaluating the thermal resistance of A means to identify a coefficient in a Robin boundary condition. We evaluate H numerically by means of Thin Plate Approximation.

Sparse solvers are one of the building blocks of any technology for reliable and high-performance scientific and engineering computing. In this paper we present a software package which implements an efficient multigrid sparse solver running on Graphics Processing Units. The package is a branch of a wider initiative of software development for sparse Linear Algebra computations on emergent HPC architectures involving a large research group working in many application projects over the last ten years.

Current theories of schizophrenia emphasize the role of altered information integration as the core dysfunction of this illness. While ample neuroimaging evidence for such accounts comes from investigations of spatial connectivity, understanding temporal disruptions is important to fully capture the essence of dysconnectivity in schizophrenia.

We present an extension of the multiparticle collision dynamics method for flows with complex interfaces, including supramolecular near-contact interactions mimicking the effect of surfactants. The new method is demonstrated for the case of (i) short range repulsion of droplets in close contact, (ii) arrested phase separation, and (iii) different pattern formation during spinodal decomposition of binary mixtures.

GPUs are very powerful computing accelerators that are often employed in single-device configuration. However, there is a steadily growing interest in using multiple GPUs in a concurrent way both to overcome the memory limitations of the single device and to further reduce execution times. Until recently, communication among GPUs had been carried out mainly by using networking technologies originally devised for standard CPUs with the CPU playing an active role in the communication.

In the framework of the exact factorization of the time-dependent electron-nuclear wave function, we investigate the possibility of solving the nuclear time-dependent Schrödinger equation based on trajectories. The nuclear equation is separated in a Hamilton-Jacobi equation for the phase of the wave function, and a continuity equation for its (squared) modulus. For illustrative adiabatic and nonadiabatic one-dimensional models, we implement a procedure to follow the evolution of the nuclear density along the characteristics of the Hamilton-Jacobi equation.

In this paper, we discuss the convergence of an Algebraic MultiGrid (AMG) method for general symmetric positive-definite matrices. The method relies on an aggregation algorithm, named coarsening based on compatible weighted matching, which exploits the interplay between the principle of compatible relaxation and the maximum product matching in undirected weighted graphs.