Cel 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. Dziedzina nauki natural sciencescomputer and information sciencessoftwarenatural sciencesphysical scienceselectromagnetism and electronicsspintronics Program(-y) 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) Temat(-y) ERC-SG-PE3 - ERC Starting Grant - Condensed matter physics Zaproszenie do składania wniosków ERC-2012-StG_20111012 Zobacz inne projekty w ramach tego zaproszenia System finansowania ERC-SG - ERC Starting Grant Instytucja przyjmująca THE PROVOST, FELLOWS, FOUNDATION SCHOLARS & THE OTHER MEMBERS OF BOARD, OF THE COLLEGE OF THE HOLY & UNDIVIDED TRINITY OF QUEEN ELIZABETH NEAR DUBLIN Wkład UE € 1 492 728,00 Adres COLLEGE GREEN TRINITY COLLEGE D02 CX56 DUBLIN 2 Irlandia Zobacz na mapie Region Ireland Eastern and Midland Dublin Rodzaj działalności Higher or Secondary Education Establishments Kierownik naukowy Stefano Sanvito (Prof.) Kontakt administracyjny Deirdre Savage (Ms.) Linki Kontakt z organizacją Opens in new window Strona internetowa Opens in new window Koszt całkowity Brak danych Beneficjenci (1) Sortuj alfabetycznie Sortuj według wkładu UE Rozwiń wszystko Zwiń wszystko THE PROVOST, FELLOWS, FOUNDATION SCHOLARS & THE OTHER MEMBERS OF BOARD, OF THE COLLEGE OF THE HOLY & UNDIVIDED TRINITY OF QUEEN ELIZABETH NEAR DUBLIN Irlandia Wkład UE € 1 492 728,00 Adres COLLEGE GREEN TRINITY COLLEGE D02 CX56 DUBLIN 2 Zobacz na mapie Region Ireland Eastern and Midland Dublin Rodzaj działalności Higher or Secondary Education Establishments Kierownik naukowy Stefano Sanvito (Prof.) Kontakt administracyjny Deirdre Savage (Ms.) Linki Kontakt z organizacją Opens in new window Strona internetowa Opens in new window Koszt całkowity Brak danych
