Evolving requirements for materials modelling software and underlying method developments: an inventory and future outlook [version 1; peer review: 2 approved]
This European Materials Modelling Council (EMMC) study provides an outline of the survey intent and ambitions, followed by an analysis of the results and a follow up discussion, focused on the future perspectives of the EMMC. The survey covers materials modelling and characterisation communities in...
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| Format: | Article |
| Language: | English |
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F1000 Research Ltd
2022-07-01
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| Series: | Open Research Europe |
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| Online Access: | https://open-research-europe.ec.europa.eu/articles/2-86/v1 |
| _version_ | 1811322685052944384 |
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| author | Ilian Todorov |
| author_facet | Ilian Todorov |
| author_sort | Ilian Todorov |
| collection | DOAJ |
| description | This European Materials Modelling Council (EMMC) study provides an outline of the survey intent and ambitions, followed by an analysis of the results and a follow up discussion, focused on the future perspectives of the EMMC. The survey covers materials modelling and characterisation communities in both academia and industry. It provides a profile of the surveyed players in these communities and a scaled measure on their usage of computational methodologies. The survey outcomes include: (i) summary views of the recent as well as perceived future trends of materials modelling and its associated fields, with respect to two focus areas surveyed, Model Development and Software, (ii) the main adoption factors and associated bottlenecks for computational methods and software, (iii) the most targeted materials properties and digital twins approaches, and (iv) the wider communities expectations of how EMMC can help facilitate, fulfil and drive further the European Materials Modelling Roadmap to the benefit of the European Commission’s (ECs’) research and innovation. |
| first_indexed | 2024-04-13T13:40:20Z |
| format | Article |
| id | doaj.art-a22d6a4606de4e7aab9292e838e26306 |
| institution | Directory Open Access Journal |
| issn | 2732-5121 |
| language | English |
| last_indexed | 2024-04-13T13:40:20Z |
| publishDate | 2022-07-01 |
| publisher | F1000 Research Ltd |
| record_format | Article |
| series | Open Research Europe |
| spelling | doaj.art-a22d6a4606de4e7aab9292e838e263062022-12-22T02:44:40ZengF1000 Research LtdOpen Research Europe2732-51212022-07-01216033Evolving requirements for materials modelling software and underlying method developments: an inventory and future outlook [version 1; peer review: 2 approved]Ilian Todorov0https://orcid.org/0000-0001-7275-1784Scientific Computing Department, Science and Technology Facilities Council, Warrington, Cheshire, WA4 4AD, UKThis European Materials Modelling Council (EMMC) study provides an outline of the survey intent and ambitions, followed by an analysis of the results and a follow up discussion, focused on the future perspectives of the EMMC. The survey covers materials modelling and characterisation communities in both academia and industry. It provides a profile of the surveyed players in these communities and a scaled measure on their usage of computational methodologies. The survey outcomes include: (i) summary views of the recent as well as perceived future trends of materials modelling and its associated fields, with respect to two focus areas surveyed, Model Development and Software, (ii) the main adoption factors and associated bottlenecks for computational methods and software, (iii) the most targeted materials properties and digital twins approaches, and (iv) the wider communities expectations of how EMMC can help facilitate, fulfil and drive further the European Materials Modelling Roadmap to the benefit of the European Commission’s (ECs’) research and innovation.https://open-research-europe.ec.europa.eu/articles/2-86/v1materials modelling molecular simulations method development scientific software computer simualtions HPCeng |
| spellingShingle | Ilian Todorov Evolving requirements for materials modelling software and underlying method developments: an inventory and future outlook [version 1; peer review: 2 approved] Open Research Europe materials modelling molecular simulations method development scientific software computer simualtions HPC eng |
| title | Evolving requirements for materials modelling software and underlying method developments: an inventory and future outlook [version 1; peer review: 2 approved] |
| title_full | Evolving requirements for materials modelling software and underlying method developments: an inventory and future outlook [version 1; peer review: 2 approved] |
| title_fullStr | Evolving requirements for materials modelling software and underlying method developments: an inventory and future outlook [version 1; peer review: 2 approved] |
| title_full_unstemmed | Evolving requirements for materials modelling software and underlying method developments: an inventory and future outlook [version 1; peer review: 2 approved] |
| title_short | Evolving requirements for materials modelling software and underlying method developments: an inventory and future outlook [version 1; peer review: 2 approved] |
| title_sort | evolving requirements for materials modelling software and underlying method developments an inventory and future outlook version 1 peer review 2 approved |
| topic | materials modelling molecular simulations method development scientific software computer simualtions HPC eng |
| url | https://open-research-europe.ec.europa.eu/articles/2-86/v1 |
| work_keys_str_mv | AT iliantodorov evolvingrequirementsformaterialsmodellingsoftwareandunderlyingmethoddevelopmentsaninventoryandfutureoutlookversion1peerreview2approved |