Objective Molecular spintronics is an emergent field combining the flexibility of molecular electronics and and molecular magnetism with the advantages of spintronics. Its main goal is the manipulation of the electron spin by a wise combination of ad-hoc molecules and inorganic substrate. Besides the rich magnetic behavior resulting from the interaction between a magnetic molecule and a metal surface, or vice versa, additional functions such as switchability by external parameters (light, voltage) can be integrated. This multi-disciplinary field offers a wide range of routes towards spin-based devices with potential technological applications in information storage and processing However, due to the very large number of possible material combinations there is an urgent need for fundamental understanding, guiding concepts and tools to scale up and systematize the search of new smart functional molecular designs. Our scientific target is to develop a modelling platform around molecular spintronics that is essential to stimulate fundamental as well as applied/technological research and facilitate the emergence of new key enabling technologies. The novelty of our project is to combine and develop the most up to date modelling tools with cutting-edge well-controlled and calibrated experimental methods in order to unravel the fundamental mechanisms governing the magneto-transport properties in molecular spintronic systems. The modelling tools developed will further be integrated as a molecular spintronic toolkit into a user-friendly software proposed by a fast growing small and medium-sized enterprise (SME) specialized in developing digital applications for the atomistic simulations of materials for technology development. Besides the tools implemented in the course of the project we aim at developing general concepts that can be used to propose efficient strategies to greatly optimize the magneto-transport properties of materials/devices. Fields of science natural sciencescomputer and information sciencessoftwarenatural sciencesphysical scienceselectromagnetism and electronicsspintronicsmolecular spintronics Keywords Density Functional Theory Scanning tunneling microscopy (STM) spin crossover (SCO) Magnetic anisotropy Non equilibrium Green Function Formalism (NEGF) Programme(s) H2020-EU.1.2. - EXCELLENT SCIENCE - Future and Emerging Technologies (FET) Main Programme H2020-EU.1.2.1. - FET Open Topic(s) FETOPEN-01-2016-2017 - FET-Open research and innovation actions Call for proposal H2020-FETOPEN-2016-2017 See other projects for this call Sub call H2020-FETOPEN-1-2016-2017 Funding Scheme RIA - Research and Innovation action Coordinator COMMISSARIAT A L ENERGIE ATOMIQUE ET AUX ENERGIES ALTERNATIVES Net EU contribution € 704 966,25 Address RUE LEBLANC 25 75015 PARIS 15 France See on map Region Ile-de-France Ile-de-France Paris Activity type Research Organisations Links Contact the organisation Opens in new window Website Opens in new window Participation in EU R&I programmes Opens in new window HORIZON collaboration network Opens in new window Total cost € 704 966,25 Participants (7) Sort alphabetically Sort by Net EU contribution Expand all Collapse all DANMARKS TEKNISKE UNIVERSITET Denmark Net EU contribution € 568 425,00 Address ANKER ENGELUNDS VEJ 101 2800 Kongens Lyngby See on map Region Danmark Hovedstaden Københavns omegn Activity type Higher or Secondary Education Establishments Links Contact the organisation Opens in new window Website Opens in new window Participation in EU R&I programmes Opens in new window HORIZON collaboration network Opens in new window Total cost € 568 425,00 QUANTUMWISE A/S Participation ended Denmark Net EU contribution € 55 331,71 Address FRUEBJERGVEJ 3 2100 Copenhagen See on map Region Danmark Hovedstaden Byen København Activity type Private for-profit entities (excluding Higher or Secondary Education Establishments) Links Contact the organisation Opens in new window Website Opens in new window Participation in EU R&I programmes Opens in new window HORIZON collaboration network Opens in new window Total cost € 55 331,71 UNIVERSITE PARIS CITE France Net EU contribution € 442 746,20 Address 85 BD SAINT GERMAIN 75006 Paris See on map Region Ile-de-France Ile-de-France Paris Activity type Higher or Secondary Education Establishments Links Contact the organisation Opens in new window Participation in EU R&I programmes Opens in new window HORIZON collaboration network Opens in new window Total cost € 614 671,20 Third-party Legal entity other than a subcontractor which is affiliated or legally linked to a participant. The entity carries out work under the conditions laid down in the Grant Agreement, supplies goods or provides services for the action, but did not sign the Grant Agreement. A third party abides by the rules applicable to its related participant under the Grant Agreement with regard to eligibility of costs and control of expenditure. CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE CNRS France Net EU contribution € 171 925,00 Address RUE MICHEL ANGE 3 75794 Paris See on map Region Ile-de-France Ile-de-France Paris Activity type Research Organisations Links Contact the organisation Opens in new window Website Opens in new window Participation in EU R&I programmes Opens in new window HORIZON collaboration network Opens in new window Total cost € 171 925,00 CHRISTIAN-ALBRECHTS-UNIVERSITAET ZU KIEL Germany Net EU contribution € 610 000,00 Address OLSHAUSENSTRASSE 40 24118 Kiel See on map Region Schleswig-Holstein Schleswig-Holstein Kiel, Kreisfreie Stadt Activity type Higher or Secondary Education Establishments Links Contact the organisation Opens in new window Website Opens in new window Participation in EU R&I programmes Opens in new window HORIZON collaboration network Opens in new window Total cost € 610 000,00 UNIVERSITAT DE VALENCIA Spain Net EU contribution € 792 225,00 Address AVENIDA BLASCO IBANEZ 13 46010 Valencia See on map Region Este Comunitat Valenciana Valencia/València Activity type Higher or Secondary Education Establishments Links Contact the organisation Opens in new window Website Opens in new window Participation in EU R&I programmes Opens in new window HORIZON collaboration network Opens in new window Total cost € 792 225,00 SYNOPSYS DENMARK APS Denmark Net EU contribution € 548 629,54 Address FRUEBJERGVEJ 3 1200 Copenhagen V See on map Region Danmark Hovedstaden Byen København Activity type Private for-profit entities (excluding Higher or Secondary Education Establishments) Links Contact the organisation Opens in new window Participation in EU R&I programmes Opens in new window HORIZON collaboration network Opens in new window Total cost € 548 629,54