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A survey of multiscale modeling: Foundations, historical milestones, current status, and future prospects

Research problems in the domains of physical, engineering, biological sciences often span multiple time and length scales, owing to the complexity of information transfer underlying mechanisms. Multiscale modeling (MSM) and high‐performance computing (HPC) have emerged as indispensable tools for tac...

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Autor principal: Radhakrishnan, Ravi
Formato: Online Artículo Texto
Lenguaje:English
Publicado: John Wiley & Sons, Inc. 2020
Materias:
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC7988612/
https://www.ncbi.nlm.nih.gov/pubmed/33790479
http://dx.doi.org/10.1002/aic.17026
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author Radhakrishnan, Ravi
author_facet Radhakrishnan, Ravi
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description Research problems in the domains of physical, engineering, biological sciences often span multiple time and length scales, owing to the complexity of information transfer underlying mechanisms. Multiscale modeling (MSM) and high‐performance computing (HPC) have emerged as indispensable tools for tackling such complex problems. We review the foundations, historical developments, and current paradigms in MSM. A paradigm shift in MSM implementations is being fueled by the rapid advances and emerging paradigms in HPC at the dawn of exascale computing. Moreover, amidst the explosion of data science, engineering, and medicine, machine learning (ML) integrated with MSM is poised to enhance the capabilities of standard MSM approaches significantly, particularly in the face of increasing problem complexity. The potential to blend MSM, HPC, and ML presents opportunities for unbound innovation and promises to represent the future of MSM and explainable ML that will likely define the fields in the 21st century.
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spelling pubmed-79886122021-03-29 A survey of multiscale modeling: Foundations, historical milestones, current status, and future prospects Radhakrishnan, Ravi AIChE J Thermodynamics and Molecular‐scale Phenomena Research problems in the domains of physical, engineering, biological sciences often span multiple time and length scales, owing to the complexity of information transfer underlying mechanisms. Multiscale modeling (MSM) and high‐performance computing (HPC) have emerged as indispensable tools for tackling such complex problems. We review the foundations, historical developments, and current paradigms in MSM. A paradigm shift in MSM implementations is being fueled by the rapid advances and emerging paradigms in HPC at the dawn of exascale computing. Moreover, amidst the explosion of data science, engineering, and medicine, machine learning (ML) integrated with MSM is poised to enhance the capabilities of standard MSM approaches significantly, particularly in the face of increasing problem complexity. The potential to blend MSM, HPC, and ML presents opportunities for unbound innovation and promises to represent the future of MSM and explainable ML that will likely define the fields in the 21st century. John Wiley & Sons, Inc. 2020-09-18 2021-03 /pmc/articles/PMC7988612/ /pubmed/33790479 http://dx.doi.org/10.1002/aic.17026 Text en © 2020 The Author. AIChE Journal published by Wiley Periodicals LLC on behalf of American Institute of Chemical Engineers. This is an open access article under the terms of the http://creativecommons.org/licenses/by-nc-nd/4.0/ License, which permits use and distribution in any medium, provided the original work is properly cited, the use is non‐commercial and no modifications or adaptations are made.
spellingShingle Thermodynamics and Molecular‐scale Phenomena
Radhakrishnan, Ravi
A survey of multiscale modeling: Foundations, historical milestones, current status, and future prospects
title A survey of multiscale modeling: Foundations, historical milestones, current status, and future prospects
title_full A survey of multiscale modeling: Foundations, historical milestones, current status, and future prospects
title_fullStr A survey of multiscale modeling: Foundations, historical milestones, current status, and future prospects
title_full_unstemmed A survey of multiscale modeling: Foundations, historical milestones, current status, and future prospects
title_short A survey of multiscale modeling: Foundations, historical milestones, current status, and future prospects
title_sort survey of multiscale modeling: foundations, historical milestones, current status, and future prospects
topic Thermodynamics and Molecular‐scale Phenomena
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC7988612/
https://www.ncbi.nlm.nih.gov/pubmed/33790479
http://dx.doi.org/10.1002/aic.17026
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