Data-driven representative models to accelerate scaled-up atomistic simulations of bitumen and biobased complex fluids-Reference-Cited by-同舟云学术

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

Published:2024 Issue:6 Volume:3 Page:1108-1122
ISSN:2635-098X
Container-title:Digital Discovery
language:en
Short-container-title:Digital Discovery

Author:

York Daniel¹,Vidal-Daza Isaac¹²,Segura Cristina³,Norambuena-Contreras Jose⁴⁵,Martin-Martinez Francisco J.¹^ORCID

Affiliation:

1. Department of Chemistry, Swansea University, Swansea, SA2 8PP, UK

2. Grupo de modelización y diseño molecular, Universidad de Granada, Granada, 18071, Spain

3. Unidad de Desarrollo Tecnológico, Universidad de Concepción, Coronel 4191996, Chile

4. LabMAT, Department of Civil and Environmental Engineering, University of Bío-Bío, Concepción 4051381, Chile

5. Materials and Manufacturing Research Institute, Department of Civil Engineering, Faculty of Science and Engineering, Swansea University, Bay campus, SA1 8EN, UK

Abstract

Automated generation of data driven representative models of bitumen-like materials for large scale atomistic simulations.

Funder

Google Research

Royal Society of Chemistry

Engineering and Physical Sciences Research Council

Corporación de Fomento de la Producción

Publisher

Royal Society of Chemistry (RSC)

Link

http://pubs.rsc.org/en/content/articlepdf/2024/DD/D3DD00245D

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