| 词条 | Draft:Computational Spectroscopy In Natural Sciences and Engineering |
| 释义 |
{{infobox |name = |bodystyle = |titlestyle = |abovestyle = background:#cfc; |subheaderstyle = |above = Computational Spectroscopy in Natural Science and Engineering |imagestyle = |captionstyle = | image = |caption = COSINE Logo |headerstyle = background:#ccf; | labelstyle = background:#ddf; | datastyle = | header1 = Informations | label2 = Name | data2 = Computational Spectroscopy in Natural Science and Engineering | label3 = Abbreviation | data3 = COSINE | label4 = Period | data4 = From 2018-01-01 to 2021-12-31 | label5 = Purpose | data5 = Devising novel theoretical tools and computational codes for the investigation of organic photochemistry | header6 = Project details | label7 = Total cost | data7 = {{val|3745978.92|u=€}} | label8 = EU contribution | data8 = {{val|3745978.92|u=€}} | label9 = Coordinated in | data9 = Germany | label10 = Topic | data10 = MSCA-ITN-2017 - Innovative Training Networks }}COmputational Spectroscopy In Natural Sciences and Engineering ([https://sites.google.com/site/itncosine/home COSINE]) is a Marie Skłodowska-Curie Innovative Training Network.[1] in the field of theoretical and computational chemistry[2], focused on Computational Spectroscopy[3]. The developing of theoretical tools is the main goal of the projects: computational codes based on electronic structure theory for the investigation of organic photochemistry and for simulation of spectroscopic experiments. It's part of the framework programme funding research Horizon 2020[4] ObjectiveMain purpose of the COSINE ETN is the development of ab-initio research tools to study optical properties and excited electronic states, which are dominated by electron correlation. This tools are developed for the investigation of organic photochemistry with the aim of accurate simulation of spectroscopic experiments on the computer. To this end a complementary series of tools, rooted in Coupled cluster[5], algebraic diagrammatic construction, Density Functional Theory, as well as selected multi-reference methods, are developed. Nodes[6]The project is divided into 8 different nodes
|name = |bodystyle = |titlestyle = |title = |imagestyle = |captionstyle = | image = |caption = This project has received funding from the European Union’s Horizon 2020 research and innovation programme under the Marie Skłodowska-Curie grant agreement N° 765739 }} Partner organisations
References1. ^{{cite web | url=https://cordis.europa.eu/project/rcn/211586_en.html | title=Training network for COmputational Spectroscopy in Natural sciences and Engineering | Projects | H2020}} 2. ^{{Citation| last = Jensen| first = Frank| title = Introduction to computation chemistry| publisher = John wiley & sons| year = 2017}} 3. ^{{Citation | vauthors = Norman P, Ruud K, Saue T | title = Principles and Practices of Molecular Properties: Theory, Modeling, and Simulations | publisher = John Wiley & Sons | year = 2018}} 4. ^2013/743/EU of 2013-12-03, https://eur-lex.europa.eu/legal-content/EN/ALL/?uri=CELEX%3A32013D0743 5. ^{{citation| vauthors = Helgaker T, Jorgensen P| title = Molecular electronic-structure| publisher = John Wiley & Sons| year = 2014}} 6. ^{{cite web | url=https://sites.google.com/site/itncosine/about | title=About - ITN-COSINE}} 7. ^{{cite web | url=http://www.en.uni-muenchen.de/about_lmu/research/collaborations/eu_proj/h2020/en_proj/1es/h2020_en_excellent_science_msca_itn/index.html | title=Marie Skłodowska-Curie Innovative Training Networks - LMU Munich}} 8. ^09/05/2017, 8634, 256/2017, III/8.19 https://www.sns.it/sites/default/files/documenti/02-08-2017/decreti_del_direttore_accordi_e_convenzioni_i_semestre_2017.pdf 9. ^{{cite web | url=https://www.ntnu.edu/research/eu-projects | title=EU projects}} 10. ^{{cite web | url=http://orbit.dtu.dk/en/projects/computational-spectroscopy-in-natural-sciences-and-engineering-cosine-coupled-cluster-methods-for-linear-xray-spectroscopies-photoionisation-pho-todetachment-and-photoelectron-spectroscopy(2872f9c3-be1a-48ff-8b51-21bc97522a20).html | title=Computational Spectroscopy in Natural sciences and Engineering (COSINE): Coupled cluster methods for linear X-ray spectroscopies, photoionisation, pho todetachment and photoelectron spectroscopy - DTU Orbit}} External links
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