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Related papers: Polymer Informatics: Current Status and Critical N…

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There has been rapidly growing demand of polymeric materials coming from different aspects of modern life because of the highly diverse physical and chemical properties of polymers. Polymer informatics is an interdisciplinary research field…

Soft Condensed Matter · Physics 2020-10-16 Stephen Wu , Hironao Yamada , Yoshihiro Hayashi , Massimiliano Zamengo , Ryo Yoshida

Polymer composite performance depends significantly on the polymer matrix, additives, processing conditions, and measurement setups. Traditional physics-based optimization methods for these parameters can be slow, labor-intensive, and…

Polymer informatics tools have been recently gaining ground to efficiently and effectively develop, design, and discover new polymers that meet specific application needs. So far, however, these data-driven efforts have largely focused on…

Materials Science · Physics 2021-07-05 Christopher Künneth , William Schertzer , Rampi Ramprasad

This paper systematically reviews the research progress and application prospects of machine learning technologies in the field of polymer materials. Currently, machine learning methods are developing rapidly in polymer material research;…

Materials Science · Physics 2025-10-31 Hongtao Guo Shuai Li Shu Li

Artificial intelligence-based methods are becoming increasingly effective at screening libraries of polymers down to a selection that is manageable for experimental inquiry. The vast majority of presently adopted approaches for polymer…

Materials Science · Physics 2023-02-16 Rishi Gurnani , Christopher Kuenneth , Aubrey Toland , Rampi Ramprasad

The advancement of polymer informatics has been significantly propelled by the integration of machine learning (ML) techniques, enabling the rapid prediction of polymer properties and expediting the discovery of high-performance polymeric…

Materials Science · Physics 2025-04-01 Jiaxin Xu , Gang Liu , Ruilan Guo , Meng Jiang , Tengfei Luo

The pursuit of advanced polymers for energy technologies, spanning photovoltaics, solid-state batteries, and hydrogen storage, is hindered by fragmented data ecosystems that fail to capture the hierarchical complexity of these materials.…

Soft Condensed Matter · Physics 2025-05-21 Ying Zhao , Guanhua Chen , Jie Liu

Modern data-driven tools are transforming application-specific polymer development cycles. Surrogate models that can be trained to predict the properties of new polymers are becoming commonplace. Nevertheless, these models do not utilize…

This perspective explores the evolution of materials informatics, from its foundational roots in physics and information theory to its maturation through artificial intelligence (AI). We trace the field's trajectory from early milestones to…

Computational Physics · Physics 2026-01-12 Turab Lookman , YuJie Liu , Zhibin Gao

The generation of molecules with Artificial Intelligence (AI) is poised to revolutionize materials discovery. Potential applications range from development of potent drugs to efficient carbon capture and separation technologies. However,…

Polymers are a vital part of everyday life. Their chemical universe is so large that it presents unprecedented opportunities as well as significant challenges to identify suitable application-specific candidates. We present a complete…

Materials Science · Physics 2023-07-20 Christopher Kuenneth , Rampi Ramprasad

Polymer packaging plays a crucial role in food preservation but poses major challenges in recycling and environmental persistence. To address the need for sustainable, high-performance alternatives, we employed a polymer informatics…

Developing large-scale foundational datasets is a critical milestone in advancing artificial intelligence (AI)-driven scientific innovation. However, unlike AI-mature fields such as natural language processing, materials science,…

Chemical Physics · Physics 2025-11-18 Ryo Yoshida , Yoshihiro Hayashi , Hidemine Furuya , Ryohei Hosoya , Kazuyoshi Kaneko , Hiroki Sugisawa , Yu Kaneko , Aiko Takahashi , Yoh Noguchi , Shun Nanjo , Keiko Shinoda , Tomu Hamakawa , Mitsuru Ohno , Takuya Kitamura , Misaki Yonekawa , Stephen Wu , Masato Ohnishi , Chang Liu , Teruki Tsurimoto , Arifin , Araki Wakiuchi , Kohei Noda , Junko Morikawa , Teruaki Hayakawa , Junichiro Shiomi , Masanobu Naito , Kazuya Shiratori , Tomoki Nagai , Norio Tomotsu , Hiroto Inoue , Ryuichi Sakashita , Masashi Ishii , Isao Kuwajima , Kenji Furuichi , Norihiko Hiroi , Yuki Takemoto , Takahiro Ohkuma , Keita Yamamoto , Naoya Kowatari , Masato Suzuki , Naoya Matsumoto , Seiryu Umetani , Hisaki Ikebata , Yasuyuki Shudo , Mayu Nagao , Shinya Kamada , Kazunori Kamio , Taichi Shomura , Kensaku Nakamura , Yudai Iwamizu , Atsutoshi Abe , Koki Yoshitomi , Yuki Horie , Katsuhiko Koike , Koichi Iwakabe , Shinya Gima , Kota Usui , Gikyo Usuki , Takuro Tsutsumi , Keitaro Matsuoka , Kazuki Sada , Masahiro Kitabata , Takuma Kikutsuji , Akitaka Kamauchi , Yusuke Iijima , Tsubasa Suzuki , Takenori Goda , Yuki Takabayashi , Kazuko Imai , Yuji Mochizuki , Hideo Doi , Koji Okuwaki , Hiroya Nitta , Taku Ozawa , Hitoshi Kamijima , Toshiaki Shintani , Takuma Mitamura , Massimiliano Zamengo , Yuitsu Sugami , Seiji Akiyama , Yoshinari Murakami , Atsushi Betto , Naoya Matsuo , Satoru Kagao , Tetsuya Kobayashi , Norie Matsubara , Shosei Kubo , Yuki Ishiyama , Yuri Ichioka , Mamoru Usami , Satoru Yoshizaki , Seigo Mizutani , Yosuke Hanawa , Shogo Kunieda , Mitsuru Yambe , Takeru Nakamura , Hiromori Murashima , Kenji Takahashi , Naoki Wada , Masahiro Kawano , Yosuke Harada , Takehiro Fujita , Erina Fujita , Ryoji Himeno , Hiori Kino , Kenji Fukumizu

Polymers are diverse and versatile materials that have met a wide range of material application demands. They come in several flavors and architectures, e.g., homopolymers, copolymers, polymer blends, and polymers with additives. Searching…

Soft Condensed Matter · Physics 2024-11-05 Shivank S. Shukla , Christopher Kuenneth , Rampi Ramprasad

Propelled partly by the Materials Genome Initiative, and partly by the algorithmic developments and the resounding successes of data-driven efforts in other domains, informatics strategies are beginning to take shape within materials…

Materials Science · Physics 2017-07-25 Rampi Ramprasad , Rohit Batra , Ghanshyam Pilania , Arun Mannodi-Kanakkithodi , Chiho Kim

Artificial intelligence (AI) raises expectations of substantial increases in rates of technological and scientific progress, but such anticipations are often not connected to detailed ground-level studies of AI use in innovation processes.…

Computers and Society · Computer Science 2025-11-21 John P. Nelson , Olajide Olugbade , Philip Shapira , Justin B. Biddle

On-demand Polymer discovery is essential for various industries, ranging from biomedical to reinforcement materials. Experiments with polymers have a long trial-and-error process, leading to use of extensive resources. For these processes,…

Computation and Language · Computer Science 2026-02-12 Vani Nigam , Achuth Chandrasekhar , Amir Barati Farimani

Artificial intelligence (AI) is rapidly emerging as a new paradigm of scientific discovery, namely data-driven science, across nearly all scientific disciplines. In materials science and engineering, AI has already begun to exert a…

Machine learning (ML) offers a powerful path toward discovering sustainable polymer materials, but progress has been limited by the lack of large, high-quality, and openly accessible polymer datasets. The Open Polymer Challenge (OPC)…

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