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Training network for COmputational Spectroscopy In Natural sciences and Engineering

Objective

During the last two decades, ab-initio Quantum Chemistry has become an important scientific pillar in chemical research. For electronic ground states, well established theoretical research tools exist, that can be applied by scientists in order to guide experimental interpretation and synthesis design. For optical properties and excited electronic states, dominated by electron correlation, computational tools are lagging behind and are currently missing the accuracy needed in order to have predictive power. However, such tools are urgently required for the fundamental understanding of natural photo-initiated processes as well as organic optical devices.
The COSINE ETN will, on one hand, devise novel theoretical tools and computational codes rooted in Electronic Structure Theory for the investigation of organic photochemistry with the aim of enabling accurate simulation of spectroscopic experiments on the computer. To this end a complementary series of tools, rooted in Coupled Cluster, Algebraic Diagrammatic Construction, Density Functional Theory, as well as selected multi-reference methods,
will be developed, also accounting for the effects of external environments.
On the other hand, COSINE will train the next generation of computational chemists in the most modern state-of-the-art high performance computing techniques for these purposes. The complementary expertise of all participating scientists/institutions, covering all fields required, from Molecular Mechanics to Response Theory, single- and multi-reference methods as well as time-dependent Schrödinger equation, will be exploited and will assure the feasibility and the success of the proposed training. The research which is proposed within COSINE is a quintessential prerequisite for genuine progress in the field of computational spectroscopy on molecules relevant in nature and/or engineering, and in particular for rationally designing new photo-active materials.

Coordinator

RUPRECHT-KARLS-UNIVERSITAET HEIDELBERG
Net EU contribution
€ 498 432,96
Address
Seminarstrasse 2
69117 Heidelberg
Germany

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Region
Baden-Württemberg Karlsruhe Heidelberg, Stadtkreis
Activity type
Higher or Secondary Education Establishments
Non-EU contribution
€ 0,00

Participants (7)

KUNGLIGA TEKNISKA HOEGSKOLAN
Sweden
Net EU contribution
€ 527 318,64
Address
Brinellvagen 8
100 44 Stockholm

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Region
Östra Sverige Stockholm Stockholms län
Activity type
Higher or Secondary Education Establishments
Non-EU contribution
€ 0,00
LUDWIG-MAXIMILIANS-UNIVERSITAET MUENCHEN
Germany
Net EU contribution
€ 498 432,96
Address
Geschwister Scholl Platz 1
80539 Muenchen

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Region
Bayern Oberbayern München, Kreisfreie Stadt
Activity type
Higher or Secondary Education Establishments
Non-EU contribution
€ 0,00
SCUOLA NORMALE SUPERIORE
Italy
Net EU contribution
€ 516 122,64
Address
Piazza Dei Cavalieri 7
56126 Pisa

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Region
Centro (IT) Toscana Pisa
Activity type
Higher or Secondary Education Establishments
Non-EU contribution
€ 0,00
SYDDANSK UNIVERSITET
Denmark
Net EU contribution
€ 290 081,88
Address
Campusvej 55
5230 Odense M

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Region
Danmark Syddanmark Fyn
Activity type
Higher or Secondary Education Establishments
Non-EU contribution
€ 0,00
ECOLE NATIONALE SUPERIEURE DE CHIMIE DE PARIS
France
Net EU contribution
€ 262 875,60
Address
11 Rue Pierre Et Marie Curie
75231 Paris Cedex 05

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Region
Ile-de-France Ile-de-France Paris
Activity type
Higher or Secondary Education Establishments
Non-EU contribution
€ 0,00
NORGES TEKNISK-NATURVITENSKAPELIGE UNIVERSITET NTNU
Norway
Net EU contribution
€ 572 550,48
Address
Hogskoleringen 1
7491 Trondheim

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Region
Norge Trøndelag Trøndelag
Activity type
Higher or Secondary Education Establishments
Non-EU contribution
€ 0,00
DANMARKS TEKNISKE UNIVERSITET
Denmark
Net EU contribution
€ 580 163,76
Address
Anker Engelundsvej 1 Bygning 101 A
2800 Kgs Lyngby

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Region
Danmark Hovedstaden Københavns omegn
Activity type
Higher or Secondary Education Establishments
Non-EU contribution
€ 0,00

Partners (8)

Partner

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

ELETTRA - SINCROTRONE TRIESTE SCPA
Italy
Net EU contribution
€ 0,00
Address
Ss 14 Km 163.5 Area Science Park
34149 Basovizza Trieste

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Region
Nord-Est Friuli-Venezia Giulia Trieste
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.

Electromagnetic Geoservices ASA
Norway
Net EU contribution
€ 0,00
Address
Stiklestadveien 1
7440 Trondheim

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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.

EXACT LAB SRL
Italy
Net EU contribution
€ 0,00
Address
Via Beirut 2-4
34151 Trieste

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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
Nord-Est Friuli-Venezia Giulia Trieste
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.

NVIDIA GmbH
Germany
Net EU contribution
€ 0,00
Address
Adenauer Strasse 20 A4
52146 Wuerselen

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Region
Nordrhein-Westfalen Köln Städteregion Aachen
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.

DELL S.P.A.
Italy
Net EU contribution
€ 0,00
Address

Milan

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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.

BioTools, Inc.
United States
Net EU contribution
€ 0,00
Address
17546 Bee Line Highway
33458 Jupiter

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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.

PDC Center for High-Performance Computing , KTH
Sweden
Net EU contribution
€ 0,00
Non-EU contribution
€ 0,00
Partner

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

Dipartimento di Scienze Chimiche e Farmaceutiche, Università degli Studi di Trieste
Italy
Net EU contribution
€ 0,00
Non-EU contribution
€ 0,00