QUASINANO

Quantum-mechanical simulations for the nanoscale

 Coordinatore Scientific Computing & Modelling N.V. 

 Organization address address: De Boelelaan 1083
city: Amsterdam
postcode: 1081 HV

contact info
Titolo: Dr.
Nome: Stan
Cognome: Van Gisbergen
Email: send email
Telefono: -5987615
Fax: -5987618

 Nazionalità Coordinatore Netherlands [NL]
 Totale costo 769˙672 €
 EC contributo 769˙672 €
 Programma FP7-PEOPLE
Specific programme "People" implementing the Seventh Framework Programme of the European Community for research, technological development and demonstration activities (2007 to 2013)
 Code Call FP7-PEOPLE-2009-IAPP
 Funding Scheme MC-IAPP
 Anno di inizio 2010
 Periodo (anno-mese-giorno) 2010-10-01   -   2014-09-30

 Partecipanti

# participant  country  role  EC contrib. [€] 
1    Scientific Computing & Modelling N.V.

 Organization address address: De Boelelaan 1083
city: Amsterdam
postcode: 1081 HV

contact info
Titolo: Dr.
Nome: Stan
Cognome: Van Gisbergen
Email: send email
Telefono: -5987615
Fax: -5987618

NL (Amsterdam) coordinator 530˙610.00
2    JACOBS UNIVERSITY BREMEN GGMBH

 Organization address address: Campus Ring 1
city: BREMEN
postcode: 28759

contact info
Titolo: Mr.
Nome: Ronald
Cognome: Kieschnick
Email: send email
Telefono: -2004887
Fax: -200494887

DE (BREMEN) participant 239˙062.00

Mappa


 Word cloud

Esplora la "nuvola delle parole (Word Cloud) per avere un'idea di massima del progetto.

inorganic    simulations    theory    become    mechanical    adf    materials    ers    chemistry    atoms    scm    dft    university    software    supramolecular    group    quantum    computer    market    spectroscopy    heine    secondments   

 Obiettivo del progetto (Objective)

'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.'

Introduzione (Teaser)

Commercially available quantum modelling software got a boost in Europe thanks to an effective collaboration between industry and academics made possible by an EU initiative.

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