Computational Discovery in the 21st Century

Prof.  Nicola Marzari, leader of WP3 at MaX, gave a public talk at PASC 17 about “Computational Discovery in the 21st Century”. Inside HPC web page (here) presents the talk in which Prof. Marzari offered an interesting overview of computational materials science, tackling societal needs and trying to provide a contribute as a scientist to the development of new materials useful for a better well being. From an analysis of the current state-of-the-art in the field, its power and limitations, the role and opportunities for novel models of doing computational science, he leads the audience to understand by  how quantum simulations are accelerating our quest for novel materials and functionalities.

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