From earth sciences to photovoltaics : ab initio quantum simulations
Mardi 28 avril 2015 17:00
- Duree : 2 heures
Lieu : Salle de visio-conférence du Bâtiment André Rassat |RdC | 470, rue de la Chimie | Campus Saint Martin d’ Hères
Orateur : Xavier Blase (Institut Néel, CNRS Grenoble)
Abstract :
Quantum mechanics describe the behavior of condensed matter systems at the electronic level from which a wealth of properties (structural, electronic, magnetic, etc.) can be in principle deduced. However, even though known for more than a century, the Schrödinger equation does not admit analytic solutions for systems more complicated than the hydrogen atom. Further, exact numerical solutions are extremely difficult to acquire due to an exponentially growing complexity with system size. Still, simple approximations, from mean-field to many-body theories, allow obtaining an "accurate enough" description of a growing number of properties for complex realistic systems. From the understanding of systems unattainable to experiments, such as earth deep interior or remote planets surface, to the prediction of novel materials of interest for applications in nanoelectronics or energy relevant applications, a glimpse at the potentialities of quantum simulations will be presented.
Biography :
Xavier Blase performed his undergraduate studies at the Ecole Normale Supérieure in Lyon before moving to the physics department at UC Berkeley for a PhD in theoretical physics. After a postdoctoral stay at EPFL, Lausanne, he joined the French CNRS in Lyon. He is today director of research at Institut Néel in Grenoble. His activity aims at understanding the properties of various systems, from nanotubes to graphene, superconducting diamond to DNA nucleobasis, using the methodology of ab initio quantum simulations, namely "in silico" study of real materials based on the basic principles of quantum mechanics. Much emphasis is given to contributing to the development of novel approaches, in particular in the so-called field of many-body perturbation theory, to progress in the computer-aided description of materials, in terms of accuracy, complexity of the systems and of the "physical observables" that can be calculated. Current applications focus mainly on methodology for the study of organic and hybrid photovoltaic systems for "green" energy generation. Xavier Blase received the 2008 CNRS silver medal for his achievements in developing quantum simulations in France.
More info : https://master-nanosciences.ujf-grenoble.fr/sites/default/files/Formation/brochure_capita_selecta2014-2015.pdf
Acces map on : http://tech.neel.cnrs.fr/rtrananoscience/files/web/Plan_salledeconference_Rassat_SMH.pdf
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