Section: Overall Objectives

Overall Objectives

The MATHERIALS team has been created jointly by the Ecole des Ponts ParisTech (ENPC) and Inria in October 2002. It is hosted by the CERMICS laboratory (Centre d'Enseignement et de Recherches en MathématIques et Calcul Scientifique) at ENPC. The permanent research scientists of the team have positions at CERMICS and at two other laboratories of Ecole des Ponts: Institut Navier and Laboratoire Saint-Venant. The scientific focus of the team is to analyze and improve the numerical schemes used in the simulation of computational chemistry at the microscopic level and to create simulations coupling this microscopic scale with meso- or macroscopic scales (possibly using parallel algorithms). Over the years, the team has accumulated an increasingly solid expertise on such topics, which are traditionally not well known by the community in applied mathematics and scientific computing. One of the major achievements of the team is to have created a corpus of literature, authoring books and research monographs on the subject [1] , [2] , [3] , [5] , [6] that other scientists may consult in order to enter the field.