Skip to main content

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.

Field of science

  • /natural sciences/chemical sciences/analytical chemistry/spectroscopy
  • /natural sciences/chemical sciences/physical chemistry/quantum chemistry

Call for proposal

H2020-MSCA-ITN-2017
See other projects for this call

Funding Scheme

MSCA-ITN-ETN - European Training Networks

Coordinator

RUPRECHT-KARLS-UNIVERSITAET HEIDELBERG
Address
Seminarstrasse 2
69117 Heidelberg
Germany
Activity type
Higher or Secondary Education Establishments
EU contribution
€ 498 432,96

Participants (7)

KUNGLIGA TEKNISKA HOEGSKOLAN
Sweden
EU contribution
€ 527 318,64
Address
Brinellvagen 8
100 44 Stockholm
Activity type
Higher or Secondary Education Establishments
LUDWIG-MAXIMILIANS-UNIVERSITAET MUENCHEN
Germany
EU contribution
€ 498 432,96
Address
Geschwister Scholl Platz 1
80539 Muenchen
Activity type
Higher or Secondary Education Establishments
SCUOLA NORMALE SUPERIORE
Italy
EU contribution
€ 516 122,64
Address
Piazza Dei Cavalieri 7
56126 Pisa
Activity type
Higher or Secondary Education Establishments
SYDDANSK UNIVERSITET
Denmark
EU contribution
€ 290 081,88
Address
Campusvej 55
5230 Odense M
Activity type
Higher or Secondary Education Establishments
ECOLE NATIONALE SUPERIEURE DE CHIMIE DE PARIS
France
EU contribution
€ 262 875,60
Address
11 Rue Pierre Et Marie Curie
75231 Paris Cedex 05
Activity type
Higher or Secondary Education Establishments
NORGES TEKNISK-NATURVITENSKAPELIGE UNIVERSITET NTNU
Norway
EU contribution
€ 572 550,48
Address
Hogskoleringen 1
7491 Trondheim
Activity type
Higher or Secondary Education Establishments
DANMARKS TEKNISKE UNIVERSITET
Denmark
EU contribution
€ 580 163,76
Address
Anker Engelundsvej 1 Bygning 101 A
2800 Kgs Lyngby
Activity type
Higher or Secondary Education Establishments

Partners (8)

ELETTRA - SINCROTRONE TRIESTE SCPA
Italy
Address
Ss 14 Km 163.5 Area Science Park
34149 Basovizza Trieste
Activity type
Research Organisations
Electromagnetic Geoservices ASA
Norway
Address
Stiklestadveien 1
7440 Trondheim
Activity type
Private for-profit entities (excluding Higher or Secondary Education Establishments)
EXACT LAB SRL
Italy
Address
Via Beirut 2-4
34151 Trieste
Activity type
Private for-profit entities (excluding Higher or Secondary Education Establishments)
NVIDIA GmbH
Germany
Address
Adenauer Strasse 20 A4
52146 Wuerselen
Activity type
Private for-profit entities (excluding Higher or Secondary Education Establishments)
DELL S.P.A.
Italy
Address

Milan
Activity type
Private for-profit entities (excluding Higher or Secondary Education Establishments)
BioTools, Inc.
United States
Address
17546 Bee Line Highway
33458 Jupiter
Activity type
Private for-profit entities (excluding Higher or Secondary Education Establishments)
PDC Center for High-Performance Computing , KTH
Sweden
Address

Stockholm
Activity type
Higher or Secondary Education Establishments
Dipartimento di Scienze Chimiche e Farmaceutiche, Università degli Studi di Trieste
Italy
Address

Trieste
Activity type
Higher or Secondary Education Establishments