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Characterization and HARmonization for Industrial Standardisation of advanced MAterials

Rezultaty

Data structure for harmonised Raman data

Documents defining describing and Python classes implementing the universal Raman data CHADA structure including rationale

Set of harmonised computed spectra

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 SOP

Executable Win/Mac/Unix program, or Docker container for implementation of web applications.

Communication and dissemination activities

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 spectroscopy

Report 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

Publikacje

Chemometrics for Raman Spectroscopy Harmonization

Autorzy: Bastian Barton; James Thomson; Enrique Lozano Diz; Raquel Portela
Opublikowane w: Applied spectroscopy (Online), Numer 5, 2022, ISSN 1943-3530
Wydawca: Sage Journals
DOI: 10.1177/00037028221094070

Review of Existing Standards, Guides, and Practices for Raman Spectroscopy

Autorzy: Afroditi Ntziouni; James Thomson; Ioannis Xiarchos; Xiang Li; Miguel A. Bañares; Costas Charitidis; Raquel Portela; Enrique Lozano Diz
Opublikowane w: Applied Spectroscopy, Numer 1, 2022, ISSN 1943-3530
Wydawca: Sage Journals
DOI: 10.1177/00037028221090988

On the Origin of Raman Activity in Anatase TiO2 (Nano)Materials: An Ab Initio Investigation of Surface and Size Effects

Autorzy: Beata Taudul; Frederik Tielens; Monica Calatayud
Opublikowane w: Nanomaterials 2023, Numer 13 (12), 2023, Strona(/y) Special Numer Theoretical Calculation and Molecular Modeling of Nanomaterials, ISSN 2079-4991
Wydawca: MDPI
DOI: 10.3390/nano13121856

"Report on 1st Co-creation Workshop of NanoMECommons project: "" Materials characterisation challenges to support the industry transition in the digital era"""

Autorzy: 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
Opublikowane w: Numer 5, 2022
Wydawca: ZENODO
DOI: 10.5281/zenodo.6339984

Supplemental Material - Chemometrics for Raman Spectroscopy Harmonization

Autorzy: Barton, Bastian; Thomson, James; Lozano Diz, Enrique; Portela, Raquel
Opublikowane w: Applied Spectroscopy, Numer 2, 2022
Wydawca: Sage Journals
DOI: 10.25384/sage.19915557

OPEN-SOURCE FOR RAMAN SPECTROSCOPY HARMONISATION

Autorzy: Georgiev, Georgi; Lelinger, Dirk; Iliev, Luchesar; Jeliazkov, Vedrin; Banares, Miguel; Portela, Raquel; Jeliazkova, Nina
Opublikowane w: Numer 4, 2023
Wydawca: ZENODO
DOI: 10.5281/zenodo.8029031

ORANCHADA visual guide (Widget usage examples)

Autorzy: Kochev, Nikolay; Tancheva, Gergana; Tsoneva, Slava; Tsokova, Gergana; Georgiev, Georgi; Iliev , Luchesar; Jeliazkova,Nina
Opublikowane w: Numer 5, 2023
Wydawca: ZENODO
DOI: 10.5281/zenodo.8232578

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