LAPSE:2024.1504
Published Article

LAPSE:2024.1504
Artificial Intelligence and Machine Learning for Sustainable Molecular-to-Systems Engineering
August 15, 2024. Originally submitted on July 9, 2024
Abstract
Sustainability encompasses many wicked problems involving complex interdependencies across social, natural, and engineered systems. We argue holistic multiscale modeling and decision-support frameworks are needed to address multifaceted interdisciplinary aspects of these wicked problems. This review highlights three emerging research areas for artificial intelligence (AI) and machine learning (ML) in molecular-to-systems engineering for sustainability: (1) molecular discovery and materials design, (2) automation and self-driving laboratories, (3) process and systems-of-systems optimization. Recent advances in AI and ML are highlighted in four contemporary application areas in chemical engineering design: (1) equitable energy systems, (2) decarbonizing the power sector, (3) circular economies for critical materials, and (4) next-generation heating and cooling. These examples illustrate how AI and ML enable more sophisticated interdisciplinary multiscale models, faster optimization algorithms, more accurate uncertainty quantification, smarter and faster data collection, and incorporation of diverse stakeholders into decision-making processes, improving the robustness of engineering and policy designs while focusing on the multifaceted goals and constraints in wicked problems.
Sustainability encompasses many wicked problems involving complex interdependencies across social, natural, and engineered systems. We argue holistic multiscale modeling and decision-support frameworks are needed to address multifaceted interdisciplinary aspects of these wicked problems. This review highlights three emerging research areas for artificial intelligence (AI) and machine learning (ML) in molecular-to-systems engineering for sustainability: (1) molecular discovery and materials design, (2) automation and self-driving laboratories, (3) process and systems-of-systems optimization. Recent advances in AI and ML are highlighted in four contemporary application areas in chemical engineering design: (1) equitable energy systems, (2) decarbonizing the power sector, (3) circular economies for critical materials, and (4) next-generation heating and cooling. These examples illustrate how AI and ML enable more sophisticated interdisciplinary multiscale models, faster optimization algorithms, more accurate uncertainty quantification, smarter and faster data collection, and incorporation of diverse stakeholders into decision-making processes, improving the robustness of engineering and policy designs while focusing on the multifaceted goals and constraints in wicked problems.
Record ID
Keywords
Subject
Suggested Citation
Dowling AW. Artificial Intelligence and Machine Learning for Sustainable Molecular-to-Systems Engineering. Systems and Control Transactions 3:22-31 (2024) https://doi.org/10.69997/sct.114705
Author Affiliations
Dowling AW: University of Notre Dame, Department of Chemical and Biomolecular Engineering, Notre Dame, IN, USA
Journal Name
Systems and Control Transactions
Volume
3
First Page
22
Last Page
31
Year
2024
Publication Date
2024-07-10
Version Comments
DOI Assigned
Other Meta
PII: 0022-0031-680046-SCT-3-2024, Publication Type: Journal Article
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LAPSE:2024.1504
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https://doi.org/10.69997/sct.114705
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