Objectif Predicting the electron and spin transport properties of organic crystals is a formidable theoretical challenge as these are determined both by the electronic structure of the individual molecules and by the morphology of the crystal. Quest's research program seeks at developing a fully quantitative theory for electron and spin transport in organic crystals, which does not rely on external parameters and can be applied to materials underpinning a multitude of applications, ranging from organic electronics, to spintronics, to energy. In particular we aim at combining state of the art density functional theory with advanced quantum transport methods and Monte Carlo simulations. We will then construct a hierarchical computational protocol enabling us to evaluate electron and spin transport across different length scales at finite temperature, including effects originating from external fields (electric and magnetic). Our developed tools will form a software package to be distributed freely to academia. Champ scientifique natural sciencescomputer and information sciencessoftwarenatural sciencesphysical scienceselectromagnetism and electronicsspintronics Programme(s) FP7-IDEAS-ERC - Specific programme: "Ideas" implementing the Seventh Framework Programme of the European Community for research, technological development and demonstration activities (2007 to 2013) Thème(s) ERC-SG-PE3 - ERC Starting Grant - Condensed matter physics Appel à propositions ERC-2012-StG_20111012 Voir d’autres projets de cet appel Régime de financement ERC-SG - ERC Starting Grant Institution d’accueil THE PROVOST, FELLOWS, FOUNDATION SCHOLARS & THE OTHER MEMBERS OF BOARD, OF THE COLLEGE OF THE HOLY & UNDIVIDED TRINITY OF QUEEN ELIZABETH NEAR DUBLIN Contribution de l’UE € 1 492 728,00 Adresse COLLEGE GREEN TRINITY COLLEGE D02 CX56 DUBLIN 2 Irlande Voir sur la carte Région Ireland Eastern and Midland Dublin Type d’activité Higher or Secondary Education Establishments Chercheur principal Stefano Sanvito (Prof.) Contact administratif Deirdre Savage (Ms.) Liens Contacter l’organisation Opens in new window Site web Opens in new window Coût total Aucune donnée Bénéficiaires (1) Trier par ordre alphabétique Trier par contribution de l’UE Tout développer Tout réduire THE PROVOST, FELLOWS, FOUNDATION SCHOLARS & THE OTHER MEMBERS OF BOARD, OF THE COLLEGE OF THE HOLY & UNDIVIDED TRINITY OF QUEEN ELIZABETH NEAR DUBLIN Irlande Contribution de l’UE € 1 492 728,00 Adresse COLLEGE GREEN TRINITY COLLEGE D02 CX56 DUBLIN 2 Voir sur la carte Région Ireland Eastern and Midland Dublin Type d’activité Higher or Secondary Education Establishments Chercheur principal Stefano Sanvito (Prof.) Contact administratif Deirdre Savage (Ms.) Liens Contacter l’organisation Opens in new window Site web Opens in new window Coût total Aucune donnée