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Theoretical Chemistry and Computational Modelling

Objective

Theoretical Chemistry and Computational Modelling (TCCM) is emerging as a powerful tool to help in the rational design of new products and materials for pharmaceutical, chemical, energy, computer, and new-materials industries. To achieve this goal, it is necessary to go beyond the traditional electronic structure studies, and merge complementary techniques that are normally not available at a single research group. The research programme of the TCCM-EJD aims at applying computational modelling to problems demanded by the industry and with high societal relevance, namely Materials with special properties, Biomolecules for new therapies and Energy storage. The objective of the Joint Doctorate is to prepare future research leaders, able to develop and use multidisciplinary computational techniques (methods and software), with solid communication skills, with many contacts established through the intensive relationship with worldwide leading researchers of 12 European universities and 14 additional partners, including 7 industrial and spin-off companies. A Joint Doctorate in TCCM is already operative since 2011, based on a fully participative scientific discussion and assessment of all research projects with a clear interdisciplinary character and the direct participation of the non-academic sector. The training programme puts the emphasis in common training, including 3 annual International Workshops, 3 schools on High Performance Computing and 3 tutorials in new computer codes. Career development opportunities are enhanced with regular inter-sectoral activities, transferable skill education and career coaching.

Coordinator

UNIVERSIDAD AUTONOMA DE MADRID
Net EU contribution
€ 454 433,76
Address
Calle Einstein 3 Ciudad Univ Cantoblanco Rectorado
28049 Madrid
Spain

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Region
Comunidad de Madrid Comunidad de Madrid Madrid
Activity type
Higher or Secondary Education Establishments
Non-EU contribution
€ 0,00

Participants (11)

KATHOLIEKE UNIVERSITEIT LEUVEN
Belgium
Net EU contribution
€ 146 160,00
Address
Oude Markt 13
3000 Leuven

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Region
Vlaams Gewest Prov. Vlaams-Brabant Arr. Leuven
Activity type
Higher or Secondary Education Establishments
Non-EU contribution
€ 0,00
RIJKSUNIVERSITEIT GRONINGEN
Netherlands
Net EU contribution
€ 404 342,61
Address
Broerstraat 5
9712CP Groningen

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Region
Noord-Nederland Groningen Overig Groningen
Activity type
Higher or Secondary Education Establishments
Non-EU contribution
€ 0,00
UNIVERSITE PAUL SABATIER TOULOUSE III
France
Net EU contribution
€ 387 011,30
Address
Route De Narbonne 118
31062 Toulouse Cedex 9

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Region
Occitanie Midi-Pyrénées Haute-Garonne
Activity type
Higher or Secondary Education Establishments
Non-EU contribution
€ 0,00
UNIVERSITA DEGLI STUDI DI PERUGIA
Italy
Net EU contribution
€ 365 586,87
Address
Piazza Dell Universita 1
06123 Perugia

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Region
Centro (IT) Umbria Perugia
Activity type
Higher or Secondary Education Establishments
Non-EU contribution
€ 0,00
UNIVERSITAT WIEN
Austria
Net EU contribution
€ 391 010,40
Address
Universitatsring 1
1010 Wien

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Region
Wien Wien
Activity type
Higher or Secondary Education Establishments
Non-EU contribution
€ 0,00
UNIVERSITAT DE BARCELONA
Spain
Net EU contribution
€ 275 414,40
Address
Gran Via De Les Corts Catalanes 585
08007 Barcelona

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Region
Este Cataluña Barcelona
Activity type
Higher or Secondary Education Establishments
Non-EU contribution
€ 0,00
UNIVERSITA DI PISA
Italy
Net EU contribution
€ 329 745,02
Address
Lungarno Pacinotti 43/44
56126 Pisa

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Region
Centro (IT) Toscana Pisa
Activity type
Higher or Secondary Education Establishments
Non-EU contribution
€ 0,00
SORBONNE UNIVERSITE
France
Net EU contribution
€ 146 042,00
Address
21 Rue De L'ecole De Medecine
75006 Paris

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Region
Ile-de-France Ile-de-France Paris
Activity type
Higher or Secondary Education Establishments
Non-EU contribution
€ 0,00
UNIVERSIDADE DO PORTO
Portugal
Net EU contribution
€ 397 260,60
Address
Praca Gomes Teixeira
4099-002 Porto

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Region
Continente Norte Área Metropolitana do Porto
Activity type
Higher or Secondary Education Establishments
Non-EU contribution
€ 0,00
UNIVERSITAT DE VALENCIA
Spain
Net EU contribution
€ 247 872,96
Address
Avenida Blasco Ibanez 13
46010 Valencia

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Region
Este Comunitat Valenciana Valencia/València
Activity type
Higher or Secondary Education Establishments
Non-EU contribution
€ 0,00
UNIVERSIDAD DEL PAIS VASCO/ EUSKAL HERRIKO UNIBERTSITATEA
Spain
Net EU contribution
€ 240 987,60
Address
Barrio Sarriena S N
48940 Leioa

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Region
Noreste País Vasco Bizkaia
Activity type
Higher or Secondary Education Establishments
Non-EU contribution
€ 0,00

Partners (14)

Partner

Partner organisations contribute to the implementation of the action, but do not sign the Grant Agreement.

MATGAS 2000 AIE
Spain
Net EU contribution
€ 0,00
Address
Campus De La Uab Edificio Matgas
08193 Cerdanyola Del Valles

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Region
Este Cataluña Barcelona
Activity type
Research Organisations
Non-EU contribution
€ 0,00
Partner

Partner organisations contribute to the implementation of the action, but do not sign the Grant Agreement.

SOFTWARE FOR CHEMISTRY & MATERIALS BV
Netherlands
Net EU contribution
€ 0,00
Address
De Boelelaan 1083
1081 HV Amsterdam

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SME

The organization defined itself as SME (small and medium-sized enterprise) at the time the Grant Agreement was signed.

Yes
Region
West-Nederland Noord-Holland Groot-Amsterdam
Activity type
Private for-profit entities (excluding Higher or Secondary Education Establishments)
Non-EU contribution
€ 0,00
Partner

Partner organisations contribute to the implementation of the action, but do not sign the Grant Agreement.

GLAXOSMITHKLINE RESEARCH AND DEVELOPMENT LTD.
United Kingdom
Net EU contribution
€ 0,00
Address
Great West Road 980
TW89GS Brentford

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Region
London Outer London — West and North West Hounslow and Richmond upon Thames
Activity type
Private for-profit entities (excluding Higher or Secondary Education Establishments)
Non-EU contribution
€ 0,00
Partner

Partner organisations contribute to the implementation of the action, but do not sign the Grant Agreement.

PLC SYSTEM - SRL
Italy
Net EU contribution
€ 0,00
Address
Zona Industriale Industriale Loc. Pantano
80011 Acerra Na

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SME

The organization defined itself as SME (small and medium-sized enterprise) at the time the Grant Agreement was signed.

Yes
Region
Sud Campania Napoli
Activity type
Private for-profit entities (excluding Higher or Secondary Education Establishments)
Non-EU contribution
€ 0,00
Partner

Partner organisations contribute to the implementation of the action, but do not sign the Grant Agreement.

MASTER-UP SRL
Italy
Net EU contribution
€ 0,00
Address
Via Sicilia 41
06128 Perugia

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SME

The organization defined itself as SME (small and medium-sized enterprise) at the time the Grant Agreement was signed.

Yes
Region
Centro (IT) Umbria Perugia
Activity type
Private for-profit entities (excluding Higher or Secondary Education Establishments)
Non-EU contribution
€ 0,00
Partner

Partner organisations contribute to the implementation of the action, but do not sign the Grant Agreement.

CINECA CONSORZIO INTERUNIVERSITARIO
Italy
Net EU contribution
€ 0,00
Address
Via Magnanelli 6/3
40033 Casalecchio Di Reno Bo

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Region
Nord-Est Emilia-Romagna Bologna
Activity type
Research Organisations
Non-EU contribution
€ 0,00
Partner

Partner organisations contribute to the implementation of the action, but do not sign the Grant Agreement.

SIMUNE ATOMISTICS SL
Spain
Net EU contribution
€ 0,00
Address
Avenida De Tolosa 76
20018 Donostia San Sebastian

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SME

The organization defined itself as SME (small and medium-sized enterprise) at the time the Grant Agreement was signed.

Yes
Region
Noreste País Vasco Gipuzkoa
Activity type
Private for-profit entities (excluding Higher or Secondary Education Establishments)
Non-EU contribution
€ 0,00
Partner

Partner organisations contribute to the implementation of the action, but do not sign the Grant Agreement.

SmartLigs Bioinformática, S.L.
Spain
Net EU contribution
€ 0,00
Address
Calle Santiago Grisolía 2
28760 Tres Cantos

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SME

The organization defined itself as SME (small and medium-sized enterprise) at the time the Grant Agreement was signed.

Yes
Region
Comunidad de Madrid Comunidad de Madrid Madrid
Activity type
Private for-profit entities (excluding Higher or Secondary Education Establishments)
Non-EU contribution
€ 0,00
Partner

Partner organisations contribute to the implementation of the action, but do not sign the Grant Agreement.

Atria Science, S.L.
Spain
Net EU contribution
€ 0,00
Address
Avda Gregorio Peces Barba 1
28918 Leganes

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SME

The organization defined itself as SME (small and medium-sized enterprise) at the time the Grant Agreement was signed.

Yes
Region
Comunidad de Madrid Comunidad de Madrid Madrid
Activity type
Private for-profit entities (excluding Higher or Secondary Education Establishments)
Non-EU contribution
€ 0,00
Partner

Partner organisations contribute to the implementation of the action, but do not sign the Grant Agreement.

BIOLITEC RESEARCH GmbH
Germany
Net EU contribution
€ 0,00
Address
Otto Schott Strasse 15
07745 Jena

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SME

The organization defined itself as SME (small and medium-sized enterprise) at the time the Grant Agreement was signed.

Yes
Region
Thüringen Thüringen Jena, Kreisfreie Stadt
Activity type
Private for-profit entities (excluding Higher or Secondary Education Establishments)
Non-EU contribution
€ 0,00
Partner

Partner organisations contribute to the implementation of the action, but do not sign the Grant Agreement.

Fondation de coopération scientifique Campus Paris Saclay
France
Net EU contribution
€ 0,00
Address
Parc Technologique De Saint-aubin Route De L'orme Aux Merisiers Rd 128
91190 Saint-aubin

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SME

The organization defined itself as SME (small and medium-sized enterprise) at the time the Grant Agreement was signed.

Yes
Region
Ile-de-France Ile-de-France Essonne
Activity type
Other
Non-EU contribution
€ 0,00
Partner

Partner organisations contribute to the implementation of the action, but do not sign the Grant Agreement.

BARCELONA SUPERCOMPUTING CENTER-CENTRO NACIONAL DE SUPERCOMPUTACION
Spain
Net EU contribution
€ 0,00
Address
Calle Jordi Girona 31
08034 Barcelona

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Region
Este Cataluña Barcelona
Activity type
Research Organisations
Non-EU contribution
€ 0,00
Partner

Partner organisations contribute to the implementation of the action, but do not sign the Grant Agreement.

UNIVERSIDAD DE ZARAGOZA
Spain
Net EU contribution
€ 0,00
Address
Calle Pedro Cerbuna 12
50009 Zaragoza

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Region
Noreste Aragón Zaragoza
Activity type
Higher or Secondary Education Establishments
Non-EU contribution
€ 0,00
Partner

Partner organisations contribute to the implementation of the action, but do not sign the Grant Agreement.

STOCKHOLMS UNIVERSITET
Sweden
Net EU contribution
€ 0,00
Address
Universitetsvagen 10
10691 Stockholm

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Region
Östra Sverige Stockholm Stockholms län
Activity type
Higher or Secondary Education Establishments
Non-EU contribution
€ 0,00