Structural characterization of polymer materials is a major step in the process of creating materials' design-structural-property relationships. With growing interests in artificial intelligence (AI)-driven materials design and high-throughput synthesis and measurements, there is now a critical need for development of complementary data-driven approaches (e.g., machine learning models and workflows) to enable fast and automated interpretation of the characterization results. This review sets out with a description of the needs for machine learning specifically in the context of three commonly used structural characterization techniques for polymer materials: microscopy, scattering, and spectroscopy. Subsequently, a review of notable work done on development and application of machine learning models / workflows for these three types of measurements is provided. Definitions are provided for common machine learning terms to help readers who may be less familiar with the terminologies used in the context of machine learning. Finally, a perspective on the current challenges and potential opportunities to successfully integrate such data-driven methods in parallel/sequentially with the measurements is provided. The need for innovative interdisciplinary training programs for researchers regardless of their career path/employment in academia, national laboratories, or research and development in industry is highlighted as a strategy to overcome the challenge associated with the sharing and curation of data and unifying metadata. 
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                            A snapshot review on soft materials assembly design utilizing machine learning methods
                        
                    
    
            Since the surge of data in materials-science research and the advancement in machine learning methods, an increasing number of researchers are introducing machine learning techniques into the next generation of materials discovery, ranging from neural-network learned potentials to automated characterization techniques for experimental images. In this snapshot review, we first summarize the landscape of techniques for soft materials assembly design that do not employ machine learning or artificial intelligence and then discuss specific machine learning and artificial-intelligence-based methods that enhance the design pipeline, such as high-throughput crystal-structure characterization and the inverse design of building blocks for materials assembly and properties. Additionally, we survey the landscape of current developments of scientific software, especially in the context of their compatibility with traditional molecular-dynamics engines such as LAMMPS and HOOMD-blue. 
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                            - Award ID(s):
- 2144094
- PAR ID:
- 10508051
- Publisher / Repository:
- Springer
- Date Published:
- Journal Name:
- MRS Advances
- ISSN:
- 2059-8521
- Format(s):
- Medium: X
- Sponsoring Org:
- National Science Foundation
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