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Data-driven representative models to accelerate scaled-up atomistic simulations of bitumen and biobased complex fluids

Daniel York, Isaac Vidal-Daza, Cristina Segura, Jose Norambuena-Contreras Orcid Logo, Francisco J. Martin-Martinez Orcid Logo

Digital Discovery, Volume: 3, Issue: 6, Pages: 1108 - 1122

Swansea University Author: Jose Norambuena-Contreras Orcid Logo

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DOI (Published version): 10.1039/d3dd00245d

Published in: Digital Discovery
ISSN: 2635-098X
Published: Royal Society of Chemistry (RSC) 2024
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URI: https://cronfa.swan.ac.uk/Record/cronfa66761
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spelling v2 66761 2024-06-20 Data-driven representative models to accelerate scaled-up atomistic simulations of bitumen and biobased complex fluids 73c6854ebb10465fbf7faab297135641 0000-0001-8327-2236 Jose Norambuena-Contreras Jose Norambuena-Contreras true false 2024-06-20 ACEM Journal Article Digital Discovery 3 6 1108 1122 Royal Society of Chemistry (RSC) 2635-098X 16 4 2024 2024-04-16 10.1039/d3dd00245d COLLEGE NANME Aerospace, Civil, Electrical, and Mechanical Engineering COLLEGE CODE ACEM Swansea University SU Library paid the OA fee (TA Institutional Deal) This work was supported by the Royal Society of Chemistry Enablement Grant (E21-7051491439), the Engineering and Physical Sciences Research Council's Industrial CASE ref. 220197 with Tata Steel, and the Chilean Economic Development Agency (CORFO) through the R&D project Prototype and Validation (grant number 19CVID-107445). The authors also acknowledge the support of the Supercomputing Wales project which is part-funded by the European Regional Development Fund (ERDF) via Welsh Government, and the support of the Google Cloud Platform Credits program with the award GCP19980904. F. J. M.-M. acknowledges the support from the Google Cloud Research Innovators program. 2024-07-17T14:29:39.2995554 2024-06-20T09:30:27.4382289 Faculty of Science and Engineering School of Aerospace, Civil, Electrical, General and Mechanical Engineering - Aerospace Engineering Daniel York 1 Isaac Vidal-Daza 2 Cristina Segura 3 Jose Norambuena-Contreras 0000-0001-8327-2236 4 Francisco J. Martin-Martinez 0000-0001-7149-5512 5 66761__30922__27f74d2755d5461da4e2ad1affac5d8b.pdf 66761.vor.pdf 2024-07-17T14:14:44.5430963 Output 2407607 application/pdf Version of Record true Distributed under the terms of a Creative Commons CC-BY Attribution licence. true eng http://creativecommons.org/licenses/by/3.0/
title Data-driven representative models to accelerate scaled-up atomistic simulations of bitumen and biobased complex fluids
spellingShingle Data-driven representative models to accelerate scaled-up atomistic simulations of bitumen and biobased complex fluids
Jose Norambuena-Contreras
title_short Data-driven representative models to accelerate scaled-up atomistic simulations of bitumen and biobased complex fluids
title_full Data-driven representative models to accelerate scaled-up atomistic simulations of bitumen and biobased complex fluids
title_fullStr Data-driven representative models to accelerate scaled-up atomistic simulations of bitumen and biobased complex fluids
title_full_unstemmed Data-driven representative models to accelerate scaled-up atomistic simulations of bitumen and biobased complex fluids
title_sort Data-driven representative models to accelerate scaled-up atomistic simulations of bitumen and biobased complex fluids
author_id_str_mv 73c6854ebb10465fbf7faab297135641
author_id_fullname_str_mv 73c6854ebb10465fbf7faab297135641_***_Jose Norambuena-Contreras
author Jose Norambuena-Contreras
author2 Daniel York
Isaac Vidal-Daza
Cristina Segura
Jose Norambuena-Contreras
Francisco J. Martin-Martinez
format Journal article
container_title Digital Discovery
container_volume 3
container_issue 6
container_start_page 1108
publishDate 2024
institution Swansea University
issn 2635-098X
doi_str_mv 10.1039/d3dd00245d
publisher Royal Society of Chemistry (RSC)
college_str Faculty of Science and Engineering
hierarchytype
hierarchy_top_id facultyofscienceandengineering
hierarchy_top_title Faculty of Science and Engineering
hierarchy_parent_id facultyofscienceandengineering
hierarchy_parent_title Faculty of Science and Engineering
department_str School of Aerospace, Civil, Electrical, General and Mechanical Engineering - Aerospace Engineering{{{_:::_}}}Faculty of Science and Engineering{{{_:::_}}}School of Aerospace, Civil, Electrical, General and Mechanical Engineering - Aerospace Engineering
document_store_str 1
active_str 0
published_date 2024-04-16T14:29:38Z
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score 11.016392

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