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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 
,
Francisco J. Martin-Martinez
,
Francisco J. Martin-Martinez
Digital Discovery, Volume: 3, Issue: 6, Pages: 1108 - 1122
Swansea University Author:
Jose Norambuena-Contreras
-
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DOI (Published version): 10.1039/d3dd00245d
Abstract
Data-driven representative models to accelerate scaled-up atomistic simulations of bitumen and biobased complex fluids
| Published in: | Digital Discovery |
|---|---|
| ISSN: | 2635-098X |
| Published: |
Royal Society of Chemistry (RSC)
2024
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| Online Access: |
Check full text
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| URI: | https://cronfa.swan.ac.uk/Record/cronfa66761 |
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| College: |
Faculty of Science and Engineering |
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| Funders: |
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. |
| Issue: |
6 |
| Start Page: |
1108 |
| End Page: |
1122 |