Cel A leading scientific software company and a renowned university research group will jointly develop new, quantum-theory based methods and concepts to allow quantum-mechanical computer simulations of systems in the 100,000 atoms range, and apply them to study challenging applications. As a result, a new chapter of atomistic computer simulation will be opened, as quantum-mechanical simulations will become feasible to study systems and processes in nanotechnology, biochemistry, supramolecular and inorganic chemistry, and in particular interfaces between these domains. SCM N.V. is an SME founded in 1998 as a spin-off of the VU University in Amsterdam, and has developed since then into one of the market leaders for quantum chemical software. The Computational Materials Science group of Prof. Heine at Jacobs University has a long experience in nanomolecular sciences, including organic and inorganic nanomaterials, spectroscopy, dynamic effects etc. The project is based on recent developments of the Heine group, which rely on an approximate DFT (A-DFT) method which is applicable throughout the periodic table, and which is capable of dealing with systems in the 100,000 atoms range. For highly accurate simulations and spectroscopy, a related hybrid method between DFT and A-DFT (AxDFT) will be developed. The methods will be brought through secondments to SCM where they will be implemented into its software product ADF and brought into the market. The resulting software will be used for challenging applications in the fields of nanoelectromechanics, supramolecular and inorganic chemistry, and nanoporous materials. With this initiative ADF will become significantly more competitive and SCM will strengthen its position on the market of quantum-theory based computer software, which is currently dominated by US-based enterprises. Knowledge is exchanged through extensive secondments of ERs, ESRs and staff ERs. Two workshops are planned to disseminate the product. Dziedzina nauki natural sciencesbiological sciencesbiochemistrynatural sciencescomputer and information sciencessoftwarenatural scienceschemical sciencesinorganic chemistrynatural sciencesphysical sciencesopticsspectroscopynatural sciencesmathematicsapplied mathematicsmathematical model Program(-y) FP7-PEOPLE - Specific programme "People" implementing the Seventh Framework Programme of the European Community for research, technological development and demonstration activities (2007 to 2013) Temat(-y) FP7-PEOPLE-2009-IAPP - Marie Curie Action: "Industry-Academia Partnerships and Pathways" Zaproszenie do składania wniosków FP7-PEOPLE-2009-IAPP Zobacz inne projekty w ramach tego zaproszenia System finansowania MC-IAPP - Industry-Academia Partnerships and Pathways (IAPP) Koordynator SOFTWARE FOR CHEMISTRY & MATERIALS BV Wkład UE € 530 610,00 Adres DE BOELELAAN 1083 1081 HV Amsterdam Niderlandy Zobacz na mapie Region West-Nederland Noord-Holland Groot-Amsterdam Rodzaj działalności Private for-profit entities (excluding Higher or Secondary Education Establishments) Kontakt administracyjny Stan Van Gisbergen (Dr.) Linki Kontakt z organizacją Opens in new window Strona internetowa Opens in new window Koszt całkowity Brak danych Uczestnicy (1) Sortuj alfabetycznie Sortuj według wkładu UE Rozwiń wszystko Zwiń wszystko CONSTRUCTOR UNIVERSITY BREMEN GGMBH Niemcy Wkład UE € 239 062,00 Adres CAMPUS RING 1 28725 Bremen Zobacz na mapie Region Bremen Bremen Bremen, Kreisfreie Stadt Rodzaj działalności Higher or Secondary Education Establishments Kontakt administracyjny Ronald Kieschnick (Mr.) Linki Kontakt z organizacją Opens in new window Strona internetowa Opens in new window Koszt całkowity Brak danych
