Construction of a sequence of orthogonal rational functions – Raf Vandebril (Department of Computer Science, KU Leuven)

Orthogonal polynomials are an important tool to approximate functions. Orthogonal rational functions provide a powerful alternative if the function of interest is not well approximated by polynomials. Polynomials orthogonal with respect to certain…

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Grassmann extrapolation for Born-Oppenheimer Molecular Dynamics – Filippo Lipparini (Dipartimento di Chimica e Chimica Industriale)

Born-Oppenheimer Molecular Dynamics (BOMD) is a powerful, yet very demanding technique in computational quantum chemistry. Performing a BOMD simulation require, for each time step, to compute the energy and forces for a quantum mechanical system,…

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New geometries on positive-definite matrices and their relation to the power means – Bruno Iannazzo (Università degli Studi di Perugia)

We introduce a new family of geometries on the cone of positive definite matricesobtained from the Hessian of the power potential and provide explicit expressionsfor related quantities such as geodesics and distances.This generalizes in some sense…

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Caputo and Riemann-Liouville fractional derivatives: a matrix comparison – Mariarosa Mazza (Università dell’Insubria)

Fractional derivatives are a mathematical tool that receivedmuch attention in the last decades because of their non-local behaviorwhich has been demonstrated to be useful when modeling anomalousdiffusion phenomena appearing, e.g., in imaging or…

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Structure-preserving dynamical model order reduction of parametric Hamiltonian systems – Cecilia Pagliantini (TU Eindhoven)

In real-time and many-query simulations of parametric differential equations, computational methods need to face high computational costs to provide sufficiently accurate and stable numerical solutions. To address this issue, model order reduction…

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