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Computational Material Science


Computational Material Science

Here you can find my new presentation on Computational Material Science. In the first part I brifely present Density Functional Theory (DFT) and Time-depdent Density Functional Theory (TD-DFT) and then different applications.Then I show how these methods can be coupled with “high throughput computing”, “evolutionary algorithms” and “machine learning”. Here the presentation in Libreoffice format:… Read More

Hétérostructures et interfaces de basse dimensionalité


Hétérostructures et interfaces de basse dimensionalité

Je organise un mini-colloque au 26ème Congrès Général SFP du 3 au 7 juillet 2023: Hétérostructures et interfaces de basse dimensionalité Organisateur : Claudio Attaccalite (CNRS/Université Aix-Marseille) Division Matière Condensée  Ce mini-colloque se concentrera sur les nouveaux phénomènes émergents qui se produisent aux interfaces et dans les nanostructures de basse dimensionalité. L’idée de ce mini-colloque… Read More

A squashed and squeezed h-BN


A squashed and squeezed h-BN

In this seminar I present new thoeretical and exparimental results on hexagonal-boron nitride under isotropic pressure and uni-axial strain. In particalar we focused on the changes in the optical response both absortion and emission. We show how exicton behave under these extreme conditions.The presentation can You can downloaded here: A squashed and squeezed h-BN [ODP]