Risultati finali
Documents defining describing and Python classes implementing the universal Raman data CHADA structure including rationale
A report and files containing the energetic, electronic and reactivity properties and the Raman spectra compatible with CHADA and MODA for the selected systems will be generated and published in a common repository NoMAD and CHARISMA database.
Executable software for CHADA generation and chemometrics with corresponding SOPExecutable Win/Mac/Unix program, or Docker container for implementation of web applications.
The activities included in the communication plan will be reported yearly including the development of a brand identity and website in M3 and continuous targeted activities as well as integrated communication campaigns across online and offline channels
Standardisation in Raman spectroscopyReport on the state of the art in Raman standardisation and guidelines from the perspective of modelling WP2 hardware and procedures for calibration and measurement WP3 analysis WP4 and ontology WP5 The report will be the result of T31 T51 and T71 in the frame of TF1 standards It will contain a general overview of all Technical Standardisation Committees relevant for the development of the CHARISMA solutions as well as the published standards and those under development T71 M3 It will also contain a deep analysis of these standards and any other publications guidelines and information related to Raman spectrum recording and normalisation T31 M5 divided in 3 groups hardware firmware preprocessing and sample and sampling effects postacquisition processing and analysis T41 M5 and representation T51 will cover relevant IoT standards API formats ontologies and databases
Pubblicazioni
Autori:
Bastian Barton; James Thomson; Enrique Lozano Diz; Raquel Portela
Pubblicato in:
Applied spectroscopy (Online), Numero 5, 2022, ISSN 1943-3530
Editore:
Sage Journals
DOI:
10.1177/00037028221094070
Autori:
Afroditi Ntziouni; James Thomson; Ioannis Xiarchos; Xiang Li; Miguel A. Bañares; Costas Charitidis; Raquel Portela; Enrique Lozano Diz
Pubblicato in:
Applied Spectroscopy, Numero 1, 2022, ISSN 1943-3530
Editore:
Sage Journals
DOI:
10.1177/00037028221090988
Autori:
Beata Taudul; Frederik Tielens; Monica Calatayud
Pubblicato in:
Nanomaterials 2023, Numero 13 (12), 2023, Pagina/e Special Numero Theoretical Calculation and Molecular Modeling of Nanomaterials, ISSN 2079-4991
Editore:
MDPI
DOI:
10.3390/nano13121856
Autori:
Adamovic, Nadja; Banares, Miguel; Boskovic, Bojan; Ma��gorzata Celuch; Charitidis, Costas; Dykeman, Donna; Goldbeck, Gerhard; Kada, Gerard; Kakogiannos, Ioannis; Katsavrias, Athanasios; Kienberger, Ferry; Konstantopoulos, Georgios; Koumoulos, Elias; Kr��ll, Mirco; Argiris Laskarakis; Stergos Logothetidis; Nikoloudakis, Nikolaos; De Oliveira, Rui; Pira, Nello Li; Ryder, Alan; Sebastiani, Ma
Pubblicato in:
Numero 5, 2022
Editore:
ZENODO
DOI:
10.5281/zenodo.6339984
Autori:
Barton, Bastian; Thomson, James; Lozano Diz, Enrique; Portela, Raquel
Pubblicato in:
Applied Spectroscopy, Numero 2, 2022
Editore:
Sage Journals
DOI:
10.25384/sage.19915557
Autori:
Georgiev, Georgi; Lelinger, Dirk; Iliev, Luchesar; Jeliazkov, Vedrin; Banares, Miguel; Portela, Raquel; Jeliazkova, Nina
Pubblicato in:
Numero 4, 2023
Editore:
ZENODO
DOI:
10.5281/zenodo.8029031
Autori:
Kochev, Nikolay; Tancheva, Gergana; Tsoneva, Slava; Tsokova, Gergana; Georgiev, Georgi; Iliev , Luchesar; Jeliazkova,Nina
Pubblicato in:
Numero 5, 2023
Editore:
ZENODO
DOI:
10.5281/zenodo.8232578
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