Objetivo 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. Ámbito científico natural sciencescomputer and information sciencessoftwarenatural sciencesphysical scienceselectromagnetism and electronicsspintronics Programa(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) Tema(s) ERC-SG-PE3 - ERC Starting Grant - Condensed matter physics Convocatoria de propuestas ERC-2012-StG_20111012 Consulte otros proyectos de esta convocatoria Régimen de financiación ERC-SG - ERC Starting Grant Institución de acogida THE PROVOST, FELLOWS, FOUNDATION SCHOLARS & THE OTHER MEMBERS OF BOARD, OF THE COLLEGE OF THE HOLY & UNDIVIDED TRINITY OF QUEEN ELIZABETH NEAR DUBLIN Aportación de la UE € 1 492 728,00 Dirección COLLEGE GREEN TRINITY COLLEGE D02 CX56 DUBLIN 2 Irlanda Ver en el mapa Región Ireland Eastern and Midland Dublin Tipo de actividad Higher or Secondary Education Establishments Investigador principal Stefano Sanvito (Prof.) Contacto administrativo Deirdre Savage (Ms.) Enlaces Contactar con la organización Opens in new window Sitio web Opens in new window Coste total Sin datos Beneficiarios (1) Ordenar alfabéticamente Ordenar por aportación de la UE Ampliar todo Contraer todo THE PROVOST, FELLOWS, FOUNDATION SCHOLARS & THE OTHER MEMBERS OF BOARD, OF THE COLLEGE OF THE HOLY & UNDIVIDED TRINITY OF QUEEN ELIZABETH NEAR DUBLIN Irlanda Aportación de la UE € 1 492 728,00 Dirección COLLEGE GREEN TRINITY COLLEGE D02 CX56 DUBLIN 2 Ver en el mapa Región Ireland Eastern and Midland Dublin Tipo de actividad Higher or Secondary Education Establishments Investigador principal Stefano Sanvito (Prof.) Contacto administrativo Deirdre Savage (Ms.) Enlaces Contactar con la organización Opens in new window Sitio web Opens in new window Coste total Sin datos