Opendata, web and dolomites

GEMS SIGNED

General Embedding Models for Spectroscopy

Total Cost €

0

EC-Contrib. €

0

Partnership

0

Views

0

 GEMS project word cloud

Explore the words cloud of the GEMS project. It provides you a very rough idea of what is the project "GEMS" about.

transmission    molecular    resonance    plasmon    signals    nano    portion    sers    analyte    gems    variety    spectroscopy    accurate    describe    framework    scientific    software    packages    extendable    adsorbed    surface    coherent    sheets    computational    introducing    bridge    benefitted    quantum    roa    dyes    optical    qm    treat    particles    pilot    junctions    stereochemical    specialists    infrared    chiral    nanostructured    experimental    enhanced    nanostructure    supramolecular    scattering    machinery    biosensor    paradigmatic    spectroscopies    mm    solution    parametrization    interacting    external    protocols    plasmonic    subnanometre    dependent    model    theoretical    simulation    graphene    limited    spectra    molecules    mechanical    recently    description    molecule    oligopeptides    shift    vicinity    mechanics    metal    achiral    resorting    environment    metallic    gap    community    interfaced    chemistry    measured    tools    raman    aggregates    gers    nanoaggregates    inadequate    frequency    isolated    spectroscopic    synergistic    ir    multilayer    embedding    specificities    found    organic    maximize   

Project "GEMS" data sheet

The following table provides information about the project.

Coordinator
SCUOLA NORMALE SUPERIORE 

Organization address
address: PIAZZA DEI CAVALIERI 7
city: PISA
postcode: 56126
website: www.sns.it

contact info
title: n.a.
name: n.a.
surname: n.a.
function: n.a.
email: n.a.
telephone: n.a.
fax: n.a.

 Coordinator Country Italy [IT]
 Total cost 1˙609˙500 €
 EC max contribution 1˙609˙500 € (100%)
 Programme 1. H2020-EU.1.1. (EXCELLENT SCIENCE - European Research Council (ERC))
 Code Call ERC-2018-COG
 Funding Scheme ERC-COG
 Starting year 2019
 Duration (year-month-day) from 2019-06-01   to  2024-05-31

 Partnership

Take a look of project's partnership.

# participants  country  role  EC contrib. [€] 
1    SCUOLA NORMALE SUPERIORE IT (PISA) coordinator 1˙609˙500.00

Map

 Project objective

Recently, there has been a paradigmatic shift in experimental molecular spectroscopy, with new methods focusing on the study of molecules embedded within complex supramolecular/nanostructured aggregates. In the past, molecular spectroscopy has benefitted from the synergistic developments of accurate and cost-effective computational protocols for the simulation of a wide variety of spectroscopies. These methods, however, have been limited to isolated molecules or systems in solution, therefore are inadequate to describe the spectroscopy of complex nanostructured systems. The aim of GEMS is to bridge this gap, and to provide a coherent theoretical description and cost-effective computational tools for the simulation of spectra of molecules interacting with metal nano-particles, metal nanoaggregates and graphene sheets. To this end, I will develop a novel frequency-dependent multilayer Quantum Mechanical (QM)/Molecular Mechanics (MM) embedding approach, general enough to be extendable to spectroscopic signals by using the machinery of quantum chemistry and able to treat any kind of plasmonic external environment by resorting to the same theoretical framework, but introducing its specificities through an accurate modelling and parametrization of the classical portion. The model will be interfaced with widely used computational chemistry software packages, so to maximize its use by the scientific community, and especially by non-specialists. As pilot applications, GEMS will study the Surface-Enhanced Raman (SERS) spectra of systems that have found applications in the biosensor field, SERS of organic molecules in subnanometre junctions, enhanced infrared (IR) spectra of oligopeptides adsorbed on graphene, Graphene Enhanced Raman Scattering (GERS) of organic dyes, and the transmission of stereochemical response from a chiral analyte to an achiral molecule in the vicinity of a plasmon resonance of an achiral metallic nanostructure, as measured by Raman Optical Activity-ROA

Are you the coordinator (or a participant) of this project? Plaese send me more information about the "GEMS" project.

For instance: the website url (it has not provided by EU-opendata yet), the logo, a more detailed description of the project (in plain text as a rtf file or a word file), some pictures (as picture files, not embedded into any word file), twitter account, linkedin page, etc.

Send me an  email (fabio@fabiodisconzi.com) and I put them in your project's page as son as possible.

Thanks. And then put a link of this page into your project's website.

The information about "GEMS" are provided by the European Opendata Portal: CORDIS opendata.

More projects from the same programme (H2020-EU.1.1.)

LO-KMOF (2019)

Vapour-deposited metal-organic frameworks as high-performance gap-filling dielectrics for nanoelectronics

Read More  

VALURED (2019)

Value Judgments and Redistribution Policies

Read More  

TRUST (2018)

Truth and Semantics

Read More