Papers citing Machine Learning-Assisted Design of Advanced Polymeric Materials
Multiphysics advances in analyzing the role of the interfaces and interphases in electrically conductive particle-filled nanocomposites
Journal of Applied Physics · 2025-08-22
Christian Brosseau
Read original paper ↗ ·Graph attention networks decode conductive network mechanism and accelerate design of polymer nanocomposites
npj Computational Materials · 2025-08-28
Tang Sui, Shaolong Liu, Bihui Cong, Xiaoke Xu, Dongjing Shan, Giuseppe Milano, Ying Zhao, Shuang Xu, Jiashun Mao
Read original paper ↗ ·Tooling Artificial Intelligence in Polymeric Nanofillers: A Review
Nanoscience & Nanotechnology-Asia · 2025-08-28
Amarachi Udoka Nkwoada, Anukam Basil N, Gladstone Azubuike Otuuh, Simeon C. Nwanonenyi, Tochukwu Ifeanyi Nwakile, Chibuzo Gideon Odo, Chijioke Michael Amakom, Ali Bilar
Read original paper ↗ ·In Situ Probing of Polymer Residence on the Nanoparticle Surface by Combining Deep Learning and Single‐Molecule Fluorescence Tracking
Macromolecular Rapid Communications · 2025-08-29
Jinpeng Wang, Wei Deng, Ming Hu, Yuehua Zhao, Bo Peng, Dapeng Wang
Read original paper ↗ ·Machine-learning-assisted design of re-entrant honeycomb metamaterials with tunable mechanical properties
International Journal of Mechanical Sciences · 2025-08-29
Lixiang Rao, Yu Zhou, Wenjie Liu, Huilong Han, Fugong Qi, Huan Liu, Siyu Wang, Junhao Zhao, Yingjie Zhang, Yingjie Zhang, Xinchun Zhang
Read original paper ↗ ·Predictive Approaches for 3D ‐Printing: Methods and Approaches for Polymeric Materials
Wiley Interdisciplinary Reviews Computational Molecular Science · 2025-09-01
Isabel Cooley, W.J. Wang, Vladimir A. Kozyrev, Ricky D. Wildman, Blair F. Johnston, Anna K. Croft
Read original paper ↗ ·AI-driven Automated Construction of Block Copolymer Phase Diagrams
Chinese Journal of Polymer Science · 2025-09-02
Qingshu Dong, Qingliang Song, Kun Tian, Weihua Li
Read original paper ↗ ·AI Design for High Entropy Alloys: Progress, Challenges and Future Prospects
Metals · 2025-09-11
Enzhi Xie, Chao Yang
Read original paper ↗ ·AI‐Powered Inverse Design of High‐Performance Unidirectional CFRP Composites: Breaking the Compressive‐Tensile Trade‐Off via Machine Learning
Macromolecular Rapid Communications · 2025-09-13
Yisheng Xu, Jiani Zhang, Tianhao Xu, Haoxiang Lan, Liquan Wang, Jiaping Lin, Lei Du
Read original paper ↗ ·Ontology-Based Modelling and Analysis of Sustainable Polymer Systems: PVC Comparative Polymer and Implementation Perspectives
Polymers · 2025-09-26
Alexander Chidara, Kai Di Cheng, David Gallear
Read original paper ↗ ·A comprehensive review of synthetic polymers stress on sludge anaerobic digestion resource and value: Current status, mechanisms, and future potential
Process Safety and Environmental Protection · 2025-09-27
Lipeng Wu, Zhengpeng Chen, Lixin Wei, Jiahao Chen, Yanchao He, Bocai Liang, Shenglong Chen, Yuxiang Lu, Chengyuan Su
Read original paper ↗ ·Thermodynamic Labeling Enables CO 2 Prediction in Polymers of Intrinsic Microporosity under Small Data Constraints
Macromolecular Rapid Communications · 2025-09-29
Johnathan W. Campbell, Ashley P. DeRegis, Jeffrey A. Laub, David S. Sholl, Konstantinos D. Vogiatzis
Read original paper ↗ ·Data-driven accelerated design of non-equimolar rare-earth silicates with phase stability and high CMAS resistance at 1550 ° C
Journal of Alloys and Compounds · 2025-10-01
Bin Qian, Wei Min Liang, Y. L. Tu, Jiahao Zu, Keyuan Xu, Xuewen Ding, Yu Wang, Fangli Yu, Yu Bai
Read original paper ↗ ·Emerging group-VA 2D materials: Antimonene and bismuthene for nanoelectronics and energy storage
Journal of Alloys and Compounds · 2025-10-14
Yedluri Anil Kumar, Reddi Mohan Naidu Kalla, Abdullah Godran Al-Sehemi, Ezhakudiyan Ravindran, Ramanadha Mangiri
Read original paper ↗ ·Polymeric Frontiers in Next-Generation Energy Storage: Bridging Molecular Design, Multifunctionality, and Device Applications Across Batteries, Supercapacitors, Solid-State Systems, and Beyond
Polymers · 2025-10-20
Akhil Sharma, Sonu Sharma, Mohit Sharma, Vikas Sharma, Shivika Sharma, Iyyakkannu Sivanesan
Read original paper ↗ ·PolyMetriX: an ecosystem for digital polymer chemistry
npj Computational Materials · 2025-10-21
Sreekanth Kunchapu, Kevin Maik Jablonka
Read original paper ↗ ·Dispersed Generative Inverse Design: Localized Uniformity Accelerating Polymer Property-to-Processing Discovery
Macromolecules · 2025-10-24
Han Liu, Liantang Li
Read original paper ↗ ·Bayesian Optimization in Polymer Modeling: From Coarse‐Graining Foundations to Autonomous Inverse Design
Macromolecular Theory and Simulations · 2025-10-27
Zakiya Shireen
Read original paper ↗ ·A big data approach to explore core properties of waterborne polyurethane coatings
Progress in Organic Coatings · 2025-10-28
Lu Liu, Rui Li, Chunhui Xie, Yang You, Qin Chen, Haibo Xie, Mengmeng Qin, Yunqi Li
Read original paper ↗ ·A Computational Renaissance in High-Energy Density Materials (HEDMs) Research
Chemical Reviews · 2025-11-03
Haixiang Gao, Jane S. Murray, Jean’ne M. Shreeve
Read original paper ↗ ·From hydrophobic to hydrophilic: Enhancing surface properties of parylene F coatings through oxygen plasma modification
Colloids and Surfaces B Biointerfaces · 2025-11-04
Xun Ma, Tao Li, Tao Li, Leilei Yu, Ping Liu, Wenyi Yang, Wei Li
Read original paper ↗ ·Piezoelectric polymer nanocomposite: Fabricating methods for materials and devices
Nano Trends · 2025-11-17
Rita O. Okpuwhara, Bilainu Obozokhai Oboirien
Read original paper ↗ ·AI‐Assisted Design of Advanced Polymeric Materials: Challenges and Solutions
Advanced Materials · 2025-11-20
Liang Gao, Siqin Song, Jiaping Lin, Yisheng Xu, Liquan Wang, Lei Du
Read original paper ↗ ·MOF in catalysis, sensing and energy storage applications
Nano Energy · 2025-11-20
Yuwei Niu, Yuhua Wang, Haijun Zhang
Read original paper ↗ ·Multifunctional polymers in perovskite photovoltaics: bridging efficiency, stability, and manufacturing
Journal of Materials Chemistry A · 2025-11-21
Farzad Zahedi, Mohsen Ameri, M. H. Rajabi Manshadi, Mohammad Jafari Pouya, Marziyeh Mohebbi, Maryam Alidaei, Siming Huang, Tandis HosseinMirzaie, Galyam Sanfo, Mojtaba Abdi‐Jalebi
Read original paper ↗ ·Diversity-oriented route to functional covalent triazine frameworks
Polymer Chemistry · 2025-11-24
Catherine Mollart, Ellena Sherrett, Patrick Heasman, Michael J. G. Peach, Adam Rowling, Lewis J. Beck, Ellie Varley, David Seed, Abbie Trewin
Read original paper ↗ ·Machine learning guidelines for designing next-generation nanocomposite membranes for CO 2 capture
Green Chemistry · 2025-11-25
Doaa Sallam, Basamat S. Shaheen, Nageh K. Allam
Read original paper ↗ ·Payload‐Driven Design of Polymeric Carriers for Nucleic Acid Delivery: Insights from Structure–Function Relationships
Advanced Science · 2025-11-29
Hanieh Moradian, Charlotte Maeve Dunne, Manfred Gossen, Matthias Hartlieb
Read original paper ↗ ·Machine learning empowered electronic structure calculations: Progress, challenges, and prospects
Acta Physica Sinica · 2025-12-10
Yuting LI, Jiong YANG, Jinyang XI
Read original paper ↗ ·Symmetry-guided monomer design enables the combinatorial synthesis and targeted screening of polyesters
Chemical Science · 2025-12-15
Xiaojie Feng, Xiaoying He, Jiayi Zhu, Li-Hong Lin, Qiaoyan Shang, Zheng-Hong Luo, Yin-Ning Zhou, Fangyou Yan
Read original paper ↗ ·Fast Phase Prediction of Charged Polymer Blends by White-Box Machine Learning Surrogates
Macromolecules · 2025-12-17
Clayton Ellis, Xinyi Fang, Christopher J. Balzer, Timothy Quah, M. Scott Shell, Glenn H. Fredrickson, Mengyang Gu
Read original paper ↗ ·Polymerization of dual-activated alkynes: recent developments and applications
Science China Chemistry · 2025-12-23
Yufeng Xiao, Zhuo Shen, Jiachang Huang, Liguo Xu, Anjun Qin, Benzhao He
Read original paper ↗ ·Generative transformer decoder-only model polyGT: Toward polymer informatics comprehension and target polymer inverse design
Chemical Engineering Science · 2025-12-30
Hao Xu, Weimin Zhong, Xin Peng, Yiming Wang
Read original paper ↗ ·A Bayesian approach providing design choices and chemical insight for solution-processed thermoelectric polymers
Polymer Chemistry · 2026-01-01
Connor Ganley, Yuqi Feng, Himadri S. Karmakar, Howard Edan Katz, Paulette Clancy
Read original paper ↗ ·Low-data-driven Prediction of Chemical Reactions involving PVA: A Quantum Chemistry-inspired Multiscale Deep Learning Framework
SSRN Electronic Journal · 2026-01-01
Yijun Li, Yutuo Wang, Wangyang Li, Yuan Liu, Yutuo Wang
Read original paper ↗ ·Numerical simulation of particle-reinforced three-dimensional-printed composites
Elsevier eBooks · 2026-01-01
S. Muruganandham, S. Vigneshwaran, V. Vinodkumar, Sathyamoorthy Gnanasekaran
Read original paper ↗ ·Smart microdevices for biomedical drug delivery: endogenous stimuli as the key to safer therapeutics
RSC Advances · 2026-01-01
Deepanjan Datta, Viola Colaco, Maria Nison, Ananya Prabha H, Sony Priyanka Bandi, Namdev L. Dhas, Vasudev Pai, Praveen Halagali, Vamshi Krishna Tippavajhala, S Ankul Singh, Lalitkumar K. Vora
Read original paper ↗ ·Towards an artificial intelligence ecosystem for performance-driven polymer design
Polymer Chemistry · 2026-01-01
Jie Zhu, Dong Wu, Zhao‐Yan Sun, H. C. Li, Xiayun Huang, Zhihong Nie
Read original paper ↗ ·Challenges and Opportunities in Machine Learning for Light‐Emitting Polymers
Macromolecular Rapid Communications · 2026-01-06
Tian Tian, Yinyin Bao
Read original paper ↗ ·Extracting and reconstructing knowledge in materials science literature using large language models
Communications Materials · 2026-01-08
Shuyuan Li, Shihao Wei, Chenyu Huang, Yunjiang Zhang, Guizhen Zhang, Shaorui Sun
Read original paper ↗ ·Artificial Intelligence Empowered New Materials: Discovery, Synthesis, Prediction to Validation
Nano-Micro Letters · 2026-01-10
Ying Cao, Fu Hong, Jian Lü, Yuejiao Chen, Titao Jing, Xi Fan, Bingang Xu
Read original paper ↗ ·Machine learning-assisted performance prediction of pervaporation membrane for the separation of alcohol-water mixtures
Separation and Purification Technology · 2026-01-12
Ting Jiang, Qing-Yuan Han, Rong-Ze Zhu, Yong-Le Dou, Xiu Yue, Fu-Xin Ma, Sikandeer Saifuding, Wen Ma, Peng‐Cheng Ma
Read original paper ↗ ·The path of the separator: Through production, categorization, in-service performance, and sustainable recycling in LIBs
Nano Energy · 2026-01-14
Pengfei Zhang, Jiahao Yuan, Mengxing Zhang, Xiuyun Chuan, Fangfang Liu, Jinan Niu, Peizhong Feng
Read original paper ↗ ·Research Progress on Polymer Materials in High-Voltage Applications: A Review
Energies · 2026-01-20
Xuxuan Pan, Zhuo Wang, Wenhao Zhou, F. Liu, Jun Chen
Read original paper ↗ ·Physics-informed Neural Network-based Prediction of Multi-factor Coupled Thermal-oxidative Aging Behavior in Polyamide66-Glass Fiber Composites
Chinese Journal of Polymer Science · 2026-01-22
Hui Zhan, Jie Liu, Sen-Hua Zhan, Bo Wu, Tongfei Shi
Read original paper ↗ ·Artificial intelligence in polymer chemistry: opportunities and challenges
Chemical Papers · 2026-01-30
Ch.M. Seyidova, Nigar Shikhverdiyeva, H.F. Aslanova, Nargiz Tahmasib Rahimli, Nizami Allahverdi Zeynalov, D. B. Tagiyev, F. C. Amiraslanova, I. V. Shikhverdiyev
Read original paper ↗ ·Adaptive Fusion of Graph Neural Networks and Fingerprints via Gating for Multitask Prediction of Polymer Thermal Properties
Macromolecules · 2026-02-02
Hongxing Lin, Jie Jiang, Taoheng Zhang, Xiaodi Cui, Chenyang Li, Jin‐Jin Li, Ling Zhao, Zhenhao Xi
Read original paper ↗ ·Advanced organic thermoelectric materials: from fundamentals to applications
Coordination Chemistry Reviews · 2026-02-06
Jiajia Zhang, Qikai Li, Fangyi Sun, Zhijun Chen, Xuefeng Guo, Weishu Liu
Read original paper ↗ ·Machine-learning for capacitive energy storage polymer dielectrics: opportunities and challenges
Progress in Materials Science · 2026-02-12
Minzheng Yang, Chaofan Wan, Runlin Liu, Junshang Zhang, Zhonghui Shen, Ce‐Wen Nan, Yang Shen
Read original paper ↗ ·Surface-functionalized engineered biochar for efficient adsorption and removal of emerging micropollutants in soil
Biomass and Bioenergy · 2026-02-17
Sudhir Kumar Upadhyay
Read original paper ↗ ·