Generalized averaged Gaussian quadrature and applications

A simple numerical method for constructing the optimal generalized averaged Gaussian quadrature formulas will be presented. These formulas exist in many cases in which real positive GaussKronrod formulas do not exist, and can be used as an adequate alternative in order to estimate the error of a Gaussian rule. We also investigate the conditions under which the optimal averaged Gaussian quadrature formulas and their truncated variants are internal

MS FT-2-2 7 Orthogonal polynomials and quadrature: Theory, computation, and applications

Quadrature rules find many applications in science and engineering. Their analysis is a classical area of applied mathematics and continues to attract considerable attention. This seminar brings together speakers with expertise in a large variety of quadrature rules. It is the aim of the seminar to provide an overview of recent developments in the analysis of quadrature rules. The computation of error estimates and novel applications also are described

Analysis, modelling and prediction of deterministic and stochastic complex systems

The analysis of complex systems at nano- and micro-scales often requires their numerical simulation. Atomistic simulations, that rely on solving Newton's equation for each component of the system, despite being exact, are often too computationally expensive. In this work, firstly we analyse the properties of confined systems by extracting mesoscopic information directly from particles coordinate. Then, taking advantage of Mori-Zwanzig projector operator techniques and advanced data-analysis tools, we present a novel approach to parametrize non-Markovian coarse-graining models of molecular system. We focus on the parametrization of the memory terms in the stochastic Generalized Langevin Equation through a deep-learning approach. Moreover, in the framework of Dynamical Density Functional Theory (DDFT) we derive a continuum non-Markovian formulation, able to describe, given the proper free-energy, the physical properties of an atomistic system. Comparisons between molecular dynamics, fluctuating dynamical density functional theory and fluctuating hydrodynamics simulations validate our approach. Finally, we propose some numerical schemes for the simulation of DDFT with additional complexities, i.e. with stochastic terms and non-homogeneous non-constant diffusion.Open Acces

Reactive Flows in Deformable, Complex Media

Many processes of highest actuality in the real life are described through systems of equations posed in complex domains. Of particular interest is the situation when the domain is changing in time, undergoing deformations that depend on the unknown quantities of the model. Such kind of problems are encountered as mathematical models in the subsurface, material science, or biological systems.The emerging mathematical models account for various processes at different scales, and the key issue is to integrate the domain deformation in the multi-scale context. The focus in this workshop was on novel techniques and ideas in the mathematical modelling, analysis, the numerical discretization and the upscaling of problems as described above

Hyperbolic Balance Laws: modeling, analysis, and numerics (hybrid meeting)

This workshop brought together leading experts, as well as the most promising young researchers, working on nonlinear hyperbolic balance laws. The meeting focused on addressing new cutting-edge research in modeling, analysis, and numerics. Particular topics included ill-/well-posedness, randomness and multiscale modeling, flows in a moving domain, free boundary problems, games and control