Papers citing Machine Learning-Assisted Design of Advanced Polymeric Materials
Compositional Generalization as a Distinct Failure Mode in Materials AI
Journal of Artificial Intelligence for Materials Science · 2022
Daniel Fischer, Laura Meier, Thomas Braun
Read original paper ↗ ·Scientific Decision-Making with Materials AI — How Models Actually Influence Action: A Review Study
Journal of Artificial Intelligence for Materials Science · 2023
Bruno Martins, Lucas Pereira
Read original paper ↗ ·Design of Co‐Cured Multi‐Component Thermosets with Enhanced Heat Resistance, Toughness, and Processability via a Machine Learning Approach
Macromolecular Rapid Communications · 2024
Shuang Song, Xinyao Xu, Haoxiang Lan, Liang Gao, Jiaping Lin, Lei Du, Yuyuan Wang
Read original paper ↗ ·Applications of artificial intelligence and machine learning on critical materials used in cosmetics and personal care formulation design
Current Opinion in Colloid & Interface Science · 2024
Hai Xin, Akashdeep Singh Virk, Sabitoj Singh Virk, Foluso Akin-Ige, Samiul Amin
Read original paper ↗ ·Computer-aided design of thermosetting benzoxazoles containing bis-endoalkynyl groups: Low melting points and high thermal stability
European Polymer Journal · 2024
Jiahang Zhang, Zhengtao Jiang, Qixin Zhuang, Peiyuan Zuo, Xiaoyun Liu
Read original paper ↗ ·Deep Learning‐Assisted Design of Novel Donor–Acceptor Combinations for Organic Photovoltaic Materials with Enhanced Efficiency
Advanced Materials · 2024
Shizhao Zhang, Shuixing Li, Siqin Song, Yang Katie Zhao, Liang Gao, Hongzheng Chen, Hanying Li, Jiaping Lin
Read original paper ↗ ·AI-Enabled Polymer Processing Technology
Carl Hanser Verlag GmbH & Co. KG eBooks · 2025
Suprakas Sinha Ray, Ritima Banerjee, Jayita Bandyopadhyay, Jonathan Tersur Orasugh
Read original paper ↗ ·Density-aware active learning for materials discovery: a case study on functionalized nanoporous materials
Physical Chemistry Chemical Physics · 2025
Vassilis Gkatsis, Petros Maratos, Christoforos S. Rekatsinas, George Giannakopoulos, Panagiotis Krokidas
Read original paper ↗ ·On-demand design of materials with enhanced dielectric properties via a machine learning-assisted materials genome approach
Journal of Materials Chemistry A · 2025
Shujian Cao, Zhentao Zhang, Siqin Song, Haoxiang Lan, Liang Gao, Jiaping Lin, Chongyin Zhang, Wanyu Tang
Read original paper ↗ ·Wet chemistry nanoarchitectonics for nanocrystal-based films
CrystEngComm · 2025
Gaulthier Rydzek, Katsuhiko Ariga
Read original paper ↗ ·When Accuracy Is Not Enough: A Decision-Theoretic Framework for Evaluating Materials AI Models
Journal of Artificial Intelligence for Materials Science · 2025
Li Zhang, Wei Chen
Read original paper ↗ ·Discovering polyimides and their composites with targeted mechanical properties through explainable machine learning
Journal of Materials Informatics · 2025
Weilong Hu, Enzhe Jing, Haoke Qiu, Zhao‐Yan Sun
Read original paper ↗ ·Machine Learning Approaches in Polymer Science: Progress and Fundamental for a New Paradigm
SmartMat · 2025
Chunhui Xie, Haoke Qiu, Lu Liu, Yang You, Hongfei Li, Yunqi Li, Zhao‐Yan Sun, Jiaping Lin, Lijia An
Read original paper ↗ ·On-Demand Polymer Materials for Sustainability and Space
Annual Review of Chemical and Biomolecular Engineering · 2025
Micah S. Ziegler, Blair Kathryn Brettmann
Read original paper ↗ ·Rationally designed high-temperature polymer dielectrics for capacitive energy storage: An experimental and computational alliance
Progress in Polymer Science · 2025
Pritish Aklujkar, Rishi Gurnani, Pragati Rout, Ashish R. Khomane, Irene Mutegi, Mohak Desai, Amy Pollock, John M. Toribio, Jing Hao, Yang Cao, Rampi Ramprasad, Gregory Allen Sotzing
Read original paper ↗ ·A rapid UV/Vis assisted designing of benzodithiophene based polymers by machine learning to predict their light absorption for photovoltaics
Organic Electronics · 2025
Abrar U. Hassan, Cihat Güleryüz, Sajjad Hussain Sumrra, Sadaf Noreen, M.H.H. Mahmoud
Read original paper ↗ ·Interpretable Machine Learning Combined TD-DFT Calculations for the Study of Colorless Transparency Polyimides
Macromolecules · 2025
Xu Li, Haoyu Yang, Yonghong Tao, Qingji Wang, Tongfei Shi, Lin Li
Read original paper ↗ ·Formulation Design of Frontal Polymerization Systems for Epoxy Resins Based on Machine Learning
Journal of Physics Conference Series · 2025
Zhilang Zhuo, Ying Li, Wenduo Chen, Hongzhao Zhao
Read original paper ↗ ·Machine‐Learning‐Enhanced Trial‐and‐Error for Efficient Optimization of Rubber Composites
Advanced Materials · 2025
Wei Deng, Lijun Liu, Xiaohang Li, Yanyu Huang, Ming Hu, Yafang Zheng, Yuan Yin, Yan Huan, Shuxun Cui, Zhao‐Yan Sun, Jun Jiang, Xiaoniu Yang, Dapeng Wang
Read original paper ↗ ·Tailoring polymer architectures to drive molecular sieving in protein-polymer hybrids
Sustainable Chemistry and Pharmacy · 2025
Kriti Kapil, Hironobu Murata, Lucca Trachsel, Krzysztof Aleksander Matyjaszewski
Read original paper ↗ ·A graph neural network assisted reverse polymers engineering to design low bandgap benzothiophene polymers for light harvesting applications
Materials Chemistry and Physics · 2025
Abrar U. Hassan, Cihat Güleryüz, Islam H. El Azab, Ashraf Y. Elnaggar, M.H.H. Mahmoud
Read original paper ↗ ·Bone-brain interaction: mechanisms and potential intervention strategies of biomaterials
Bone Research · 2025
Jiaze Yu, Luli Ji, Yongxian Liu, Xiaogang Wang, Jing Wang, Changsheng Liu
Read original paper ↗ ·Machine learning approaches for designing polybenzoxazines with balanced thermal stability and dielectric properties
Science China Chemistry · 2025
Jiahang Zhang, Yong Yu, Qixin Zhuang, Wei Yin, Peiyuan Zuo, Xiaoyun Liu
Read original paper ↗ ·Machine Learning for Developing Sustainable Polymers
Chemistry - A European Journal · 2025
Ziyu Huo, Xiaoyu Xie, Rong Tong
Read original paper ↗ ·Measurement and QSPR modeling of Flory–Huggins parameter for solvent-swollen gels, and gel catalyst informatics
Journal of the Taiwan Institute of Chemical Engineers · 2025
Hideaki Tokuyama, Yuna Kamikawa, Teiji Kitajima
Read original paper ↗ ·Machine learning in constructing structure–property relationships of polymers
Chemical Physics Reviews · 2025
Yongqiang Ming, Jianglong Li, Jianlong Wen, Lang Shuai, Juan Yang, Yijing Nie
Read original paper ↗ ·Machine-Learning-Assisted Design of Mechanically Robust Room-Temperature Self-Healing Epoxy Resins
Macromolecules · 2025
Haitao Wu, Hao Wang, Changcheng Wang, Zhaoyang Yuan, Hu Xu, Jing Zheng, Mengjin Jiang, Jinrong Wu
Read original paper ↗ ·A quantum-transformer hybrid architecture for polymer property prediction: Addressing data sparsity issues
Computational Materials Science · 2025
Aodong Zhang, Chengke Bao, Zhanbo Zhu, Weidong Ji
Read original paper ↗ ·The AI-Driven Transformation in New Materials Manufacturing and the Development of Intelligent Sports
Applied Sciences · 2025
Fang Wang, Shunnan Jiang, Jun Li
Read original paper ↗ ·Film-Depth-Dependent Light Absorption Spectroscopy of Organic Thin Films
Accounts of Materials Research · 2025
Laju Bu, Xianqiang Xie, Zichao Shen, Guanghao Lu
Read original paper ↗ ·Machine Learning-Optimized Electroosmotic Regeneration in Composite Adsorbents
Venue not supplied by source · 2025
G.M. Wu, Shisheng Li, Zhaohe Mai, Xu Luo
Read original paper ↗ ·PyGAMD: Python graphics processing unit‐accelerated molecular dynamics software
Materials Genome Engineering Advances · 2025
Jiajie Xu, Shenghong Guo, Miaolan Zhen, Zhuochen Yu, You‐Liang Zhu, Giuseppe Milano, Zhong‐Yuan Lu
Read original paper ↗ ·Interpretable Machine Learning Prediction of Polyimide Dielectric Constants: A Feature-Engineered Approach with Experimental Validation
Polymers · 2025
Xiaojie He, Jiachen Wan, Songyang Zhang, Chenggang Zhang, Peng Xiao, Feng Zheng, Qinghua Lu
Read original paper ↗ ·Predicting possible polymer sequences based on given adhesive free energies of polymer-surface interactions using deep learning
Chemical Physics Letters · 2025
Liyang Xu, Yi Yang, Bo Yin
Read original paper ↗ ·Recent Progress of Artificial Intelligence Application in Polymer Materials
Polymers · 2025
Teng Long, Qianqian Pang, Yanyan Deng, Xiteng Pang, Yixuan Zhang, Rui Yang, Chuanjian Zhou
Read original paper ↗ ·Multitarget Generate Electrolyte Additive for Lithium Metal Batteries
Advanced Materials · 2025
Xiangyang Liu, Jianchun Chu, Sa Xue, Daquan Wang, Zhuoyang Lu, Meng Zhang, Yongqi Liu, Xin Xu, Yilin Zhang, Jiangang Long, Lingjie Meng, Jiayin Yuan, Maogang He
Read original paper ↗ ·27Chapter 2 Machine learning applications in material science: unveiling innovative solutions
De Gruyter eBooks · 2025
Leandro Rodrigues Oviedo, Maurício Dalla Costa Rodrigues da Silva, Pâmela Cristine Ladwig Muraro, Raisi Natalia Lenz Baldez, Tiago Moreno Volkmer, William Leonardo da Silva
Read original paper ↗ ·97Chapter 5 AI-powered polymer sequence design: applications and innovations
De Gruyter eBooks · 2025
Syed Salman Ali, Hrithik Dey, Atifa Khan, Bhoomika Chaudhary, Yarun, Mohammad Asif
Read original paper ↗ ·Machine-Learning-Assisted Molecular Design of Innovative Polymers
Accounts of Materials Research · 2025
Tianle Yue, Jianxin He, Ying Li
Read original paper ↗ ·Accessing Equilibrious Modulation of Activity, Molecular Weight, and Tacticity for Syndiotactic Propylene Polymerization at Industrial Relevant Temperatures via Rational Design of Single‐Site Catalysts
Macromolecular Rapid Communications · 2025
Yong‐Qing Li, Yuqing Peng, Gui‐Ping Cao, Yucai Cao
Read original paper ↗ ·A review on electrolyte innovation enabled by machine learning for energy storage applications
Materials Today Physics · 2025
Nishant Shukla, Manashi Saikia, Madhuryya Deka
Read original paper ↗ ·The Alchemist, the Scientist, and the Robot: Exploring the Potential of Human‐AI Symbiosis in Self‐Driving Polymer Laboratories
Macromolecular Rapid Communications · 2025
Bahar Dadfar, Berna Alemdag, Gözde Kabay
Read original paper ↗ ·Flexible Iontronic Sensing: Ionic Materials, Electrodes, and Encapsulation
Advanced Functional Materials · 2025
Xingxing Chen, Xia Xi, Chuan Fei Guo
Read original paper ↗ ·Advanced Design for High-Performance and AI Chips
Nano-Micro Letters · 2025
Ying Cao, Yuejiao Chen, Xi Fan, Hong Chuan Fu, Bingang Xu
Read original paper ↗ ·Bridging small molecule calculations and predictable polymer mechanical properties
Nature Communications · 2025
Luping Wang, Kaiqiang Zhang, Kaiyang Hou, Yuguo Xia, Xu Wang
Read original paper ↗ ·Statistics in enabling 2D materials: Optimization, predictive modelling, and data-driven discovery
Materials Today Physics · 2025
Johnson Kehinde Abifarin, Yuerui Lu
Read original paper ↗ ·Phytic acid chelation-assisted deep eutectic solvents for constructing high-cycle-stability SnP2O7/C anode materials in Li-Ion batteries
Journal of Alloys and Compounds · 2025
Yuchen Wu, Jiajia Li, ZhiTeng Wang, Chao Wan, Zhiqiang Liu, Zhenhe Zhu, Huixin Lan, Hui Li
Read original paper ↗ ·Flame-retardant coatings: Recent advances in materials, mechanisms, and multifunctional applications
Progress in Organic Coatings · 2025
S. Manivannan
Read original paper ↗ ·Machine Learning-Driven Optimization of Therapeutic Substance Composition for High-Hardness, Fast-Dissolving Microneedles for Androgenetic Alopecia Treatment
ACS Nano · 2025
Peiyu Yan, Jing Sun, Yuehua Zhao, Wei Deng, Miaomiao Zhang, Yang Li, Xiangru Chen, Ming Hu, Jilin Tang, Dapeng Wang
Read original paper ↗ ·Modeling gas transport in organic molecular sieve membranes
AIChE Journal · 2025
Yuhan Yang, Yi Wang, Yanan Liu, Seda Keskın, Zhongyi Jiang
Read original paper ↗ ·