Papers citing Auto-MatRegressor: liberating machine learning alchemists
Scope of machine learning in materials research—A review
Applied Surface Science Advances · 2023
Md Hosne Mobarak, Mariam Akter Mimona, Md. Aminul Islam, Nayem Hossain, Fatema Tuz Zohura, Ibnul Imtiaz, Md Israfil Hossain Rimon
Read original paper ↗ ·Development and application of automatic identification methods based on deep learning for oxide scale structures of iron and steel materials
Journal of Materials Science · 2023
Hao Wang, Guangming Cao, Jianjun Liu, Siwei Wu, Zhifeng Li, Zhenyu Liu
Read original paper ↗ ·A generalized model for estimating adsorption energies of single atoms on doped carbon materials
Journal of Materials Chemistry A · 2024
Maria G. Minotaki, Julian Geiger, Andrea Ruiz‐Ferrando, Albert Sabadell‐Rendón, Núria López
Read original paper ↗ ·Conformal active learning-aided screening of ligand-protected Cu-nanoclusters for CO 2 reduction reactions
Journal of Materials Chemistry A · 2024
Diptendu Roy, Amitabha Das, Biswarup Pathak
Read original paper ↗ ·Rational electrolyte design for Li-metal batteries operated under extreme conditions: a combined DFT, COSMO-RS, and machine learning study
Journal of Materials Chemistry A · 2024
Liang‐Ting Wu, Yu-Ting Zhan, Zhong-Lun Li, Po-Ting Chen, Bing‐Joe Hwang, Jyh‐Chiang Jiang
Read original paper ↗ ·Stability prediction of gold nanoclusters with different ligands and doped metals: deep learning and experimental tests
Journal of Materials Chemistry A · 2024
Yuming Gu, Shisi Tang, Xu Liu, Xinyi Liang, Qin Zhu, Hongfeng Wu, Xiao Yang, Weihao Jin, Hongwei Chen, Chunyan Liu, Yan Zhu, Jing Ma
Read original paper ↗ ·Parameter-Free and Electron Counting Satisfied Material Representation for Machine Learning Potential Energy and Force Fields
The Journal of Physical Chemistry Letters · 2024
Bin Xi, Man Kit Chan, Kejie Bao, Wenjing Zhao, Ho Ming Chan, Hang Chen, Junyi Zhu
Read original paper ↗ ·Deep neural network-based lifetime diagnosis algorithm with electrical capacitor accelerated life test
Journal of Power Sources · 2024
Seok-Hoon Jeong, Jong-Whi Park, Hak‐Sung Kim
Read original paper ↗ ·Progress in the prognosis of battery degradation and estimation of battery states
Science China Materials · 2024
Jun Hong Yuan, Zhili Qin, Haikun Huang, Xingdong Gan, Ziwei Wang, Yichen Yang, Shujiang Liu, An Wen, Chuang Bi, Baihai Li, Chenghua Sun
Read original paper ↗ ·MLMD: a programming-free AI platform to predict and design materials
npj Computational Materials · 2024
Jiaxuan Ma, Bin Cao, Shuya Dong, Yuan Tian, Menghuan Wang, Jie Xiong, Sheng Sun
Read original paper ↗ ·Exploring the Ambient-Temperature Degradation Reactions of PET through Two-Step Machine Learning and High-Throughput Experimentation
ACS Sustainable Chemistry & Engineering · 2024
Yaxin Wang, Shuyuan Li, Kong Meng, Yunjiang Zhang, Zhaolin Fang, Shaorui Sun
Read original paper ↗ ·Exploring the Phase Stability of Li2Mn1–xTMxO3 (TM = Ni, Co, Cr, Ru) Cathode Materials in Lithium-Ion Batteries via the Cluster Expansion Method
ACS Omega · 2024
Mamonamane Gratitude Mphahlele, Mallang Cliffton Masedi, Kemeridge Tumelo Malatji, Phuti Esrom Ngoepe, Raesibe Sylvia Ledwaba
Read original paper ↗ ·Transformer enables ion transport behavior evolution and conductivity regulation for solid electrolyte
Energy storage materials · 2024
Kehao Tao, Zhilong Wang, Zhoujie Lao, An Chen, Yanqiang Han, Lei Shi, Guangmin Zhou, Jinjin Li
Read original paper ↗ ·Knowledge-reused transfer learning for molecular and materials science
Journal of Energy Chemistry · 2024
An Chen, Zhilong Wang, Karl Luigi Loza Vidaurre, Yanqiang Han, Simin Ye, Kehao Tao, Shiwei Wang, Jing Gao, Jinjin Li
Read original paper ↗ ·Applying Machine Learning to Design Delicate Amorphous Micro-Nano Materials for Rechargeable Batteries
Energy storage materials · 2024
Zheng Tian, Zhongning Huang, Huaiyun Ge, Pengfei Hu, Xiaoyu Fan, Binbin Jia
Read original paper ↗ ·Compositional design of compounds with elements not in training data using supervised learning
Journal of Materiomics · 2024
Jingjin He, Ruowei Yin, Changxin Wang, Chuanbao Liu, Dezhen Xue, Yanjing Su, Lijie J. Qiao, Turab Lookman, Yang Bai
Read original paper ↗ ·A data-driven method to construct prediction model of solar stills
Desalination · 2024
Senshan Sun, Juxin Du, Guilong Peng, Nuo Yang
Read original paper ↗ ·Prediction of long-term creep modulus of thermoplastics using brief tests and interpretable machine learning
International Journal of Solids and Structures · 2024
Héctor Lobato, Carlos Cernuda, Kepa Zulueta, Aitor Arriaga, Jon Mattin Matxain, Aizeti Burgoa
Read original paper ↗ ·Modeling the properties of terminal blend crumb rubber modified bitumen with crosslinking additives
Construction and Building Materials · 2024
Nishanthini Jegatheesan, Mohd Rasdan Ibrahim, Ali Najah Ahmed, Suhana Binti Koting, Ahmed El-Shafie, Herda Yati Binti Katman
Read original paper ↗ ·Symbolic transform optimized convolutional neural network model for high-performance prediction and analysis of MXenes hydrogen evolution reaction catalysts
International Journal of Hydrogen Energy · 2024
Sen Kai Lu, Pei Song, Zepeng Jia, Zhikai Gao, Zhiguo Wang, Tiren Peng, Xue Bai, Qi Jiang, Hong Wei Cui, Weizhi Tian, Rong Feng, Zhiyong Liang, Qin Kang, Lingxia Jin, Hongkuan Yuan
Read original paper ↗ ·Artificial intelligence driven design of cathode materials for sodium-ion batteries using graph deep learning method
Journal of Energy Storage · 2024
Kong Meng, Kun Bai, Shaorui Sun
Read original paper ↗ ·Lithium Localization by Anions in Argyrodite Solid Electrolytes from Machine‐Learning‐based Simulations
Advanced Energy Materials · 2024
Hyun‐Jae Lee, Hyeonjung Kim, Sungyoung Ji, Kyuri Choi, Ho Sang Choi, Woosang Lim, Byungju Lee
Read original paper ↗ ·Electro‐Chemo‐Mechanical Domain to Enable Less Hysteretic Fast‐Charging
Advanced Functional Materials · 2024
Woosik Min, Tae Hwa Hong, Juncheol Hwang, Yoon Hak Lee, Joonyoung Kee, Dong Jun Kim, Dong Jun Kim, Jung Tae Lee, Duho Kim, Duho Kim
Read original paper ↗ ·Use of deep learning and data augmentation by physics-based modelling for crack characterisation from multimodal ultrasonic TFM images
Nondestructive Testing And Evaluation · 2024
Roberto Miorelli, Sébastien Robert, Pierre Calmon, Stéphane Le Berre
Read original paper ↗ ·Applications of machine learning in high-entropy alloys: a review of recent advances in design, discovery, and characterization
Nanoscale · 2025
Mohammad Hossein Golbabaei, Mohammad Zohrevand, Ning Zhang
Read original paper ↗ ·Revisiting the in-plane and in-channel diffusion of lithium ions in a solid-state electrolyte at room temperature through neural network-assisted molecular dynamics simulations
Physical Chemistry Chemical Physics · 2025
Yao‐Wei Huang, Dan Zhao, Mingsen Deng, Hujun Shen
Read original paper ↗ ·Automated Machine Learning of Interfacial Interaction Descriptors and Energies in Metal-Catalyzed N 2 and CO 2 Reduction Reactions
Langmuir · 2025
Jiawei Chen, Yuming Gu, Yuming Gu, Qin Zhu, Yating Gu, Yating Gu, Xinyi Liang, Jing Ma
Read original paper ↗ ·Utilizing Machine Learning to Advance Battery Materials Design: Challenges and Prospects
Chemistry of Materials · 2025
Souvik Manna, Poulami Paul, Surya Sekhar Manna, Sandeep Das, Biswarup Pathak
Read original paper ↗ ·State‐of‐the‐Art Machine Learning Technology for Sustainable Lithium Battery Cathode Design: A Perspective
Advanced Energy Materials · 2025
Adil Saleem, Leon L. Shaw, Zhiqian Chen, Wei Lai
Read original paper ↗ ·A general framework to govern machine learning oriented materials data quality
Materials Science and Engineering R Reports · 2025
Yue Liu, Zhengwei Yang, Xinxin Zou, Yuxiao Lin, Shuchang Ma, Wei Zuo, Zheyi Zou, Hong Wang, Maxim Avdeev, Siqi Shi
Read original paper ↗ ·What to Make and How to Make It: Combining Machine Learning and Statistical Learning to Design New Materials
Advanced Intelligent Discovery · 2025
Jonathan Y. C. Ting, Amanda Susan Barnard
Read original paper ↗ ·Harnessing Machine Learning for the Design of Surface Coatings: Challenges and Opportunities
ACS Applied Materials & Interfaces · 2025
Tu C. Le, Dang-Nhat Nguyen, Daniel Kaminski, Tony Kolver, Priya Subramanian, Stuart A. Bateman
Read original paper ↗ ·Two-Phase Deep Learning for Long-Term Lithium-Ion Battery Remaining Useful Life Prediction Considering Different Charging Periods
Journal of The Electrochemical Society · 2025
Linghao Shi, Wei Zuo, Aiping Jiang
Read original paper ↗ ·Descriptors construction and application in catalytic site design
iScience · 2025
Yuqing Feng, Yushun Chen, Zheng Li, Xuetao Chen, Tan Li, Wenbo Zhao
Read original paper ↗ ·A Database of Composition‐Processing‐Performance Parameters for over 400 Inorganic‐Polymer Composite Solid‐State Electrolytes
Advanced Theory and Simulations · 2025
Pengjin Huang, Zhengwei Yang, Yue Liu, Peijun Yu, Bo Liu, Miao Xu, Maxim Avdeev, Siqi Shi
Read original paper ↗ ·How Machine Learning Has Driven the Development of Rechargeable Ion Batteries
Advanced Energy Materials · 2025
Huawei Liu, Sihui Li, Shan Zhu, Yin Hu, Xiaopeng Han, Chunsheng Shi, Fang He, He Chunnian, Biao Chen, Naiqin Zhao
Read original paper ↗ ·Machine learning-driven materials discovery: Unlocking next-generation functional materials – A review
Computational Condensed Matter · 2025
Dilshod Nematov, Mirabbos Hojamberdiev
Read original paper ↗ ·A comprehensive benchmark of active learning strategies with AutoML for small-sample regression in materials science
Scientific Reports · 2025
Jinghou Bi, Yuanhao Xu, Felix Conrad, Hajo Wiemer, Steffen Ihlenfeldt
Read original paper ↗ ·AI-driven next-generation lithium-ion battery design automation (BDA) software
National Science Open · 2025
Zekai Liu, Genming Lai, Yunxing Zuo, Xiaohe Song, Qinghua Liu, Fan Zhang, Ziyi Wang, Qi Ji, Jiaxin Zheng, Jiadong Gong, Bo Xu, Chuying Ouyang
Read original paper ↗ ·Multifunctional composite coatings for energy transportation, storage, conversion and utilization: Progress, challenge, and perspectives
Progress in Organic Coatings · 2025
Zexi Shao, Xinyu Bu, Zhe Wang, Jianwen Peng, Jintao Wei, Bin Du, Wenkang Hu, Sheng Zhang, Junqi Ning, Haodong Hu, Xuewei Jiao, Ruitao Wang, Hongda Zhou, Yanji Zhu, Huaiyuan Wang
Read original paper ↗ ·Generalized capacity estimation for retired lithium-ion batteries: Unsupervised electrochemical impedance spectroscopy dimensionality reduction under random retirement conditions
Energy storage materials · 2025
Wenjun Fan, Bo Jiang, Xueyuan Wang, Jiangong Zhu, Haonan Liu, Yongjun Yuan, Xuezhe Wei, Haifeng Dai
Read original paper ↗ ·Advanced Machine Learning Interatomic Potential for Accelerated Atomistic Simulations of Lithiation Dynamics in Large-Scale Si@C Core–Shell Anodes
ACS Applied Materials & Interfaces · 2025
Yujie Liao, Pengfei Suo, C. Wang, Jincang Zhang, Yunsong Li
Read original paper ↗ ·An integrated high-throughput screening framework for perovskite light-emitting diode passivators based on machine learning
Journal of Materials Chemistry C · 2026
Fei Yuan, Haiyan Li, Yujia Gao, Jingcheng Deng, Jian Ma, Weiguang Xie, Tingting Shi
Read original paper ↗ ·The paradigm shift of intelligent material design and development for fire safety: progress, challenges, and machine learning
Polymer Degradation and Stability · 2026
Yuanchuan Ren, Yuhang Lin, Xuejun Zhu, Shiyong Zhao, Renjie Huang, Tingfeng Su, Cheng Wang, Nanqi Ren
Read original paper ↗ ·Artificial intelligence-assisted non-metallic inclusion particle analysis in advanced steels using machine learning: A review
International Journal of Minerals Metallurgy and Materials · 2026
Gonghao Lian, Xiaoming Liu, Qiang Wang, Chunguang Shen, Yi Wang, Wangzhong Mu
Read original paper ↗ ·Coupling Data‐Driven and Reinforcement Learning for Material Development and Device Management in Batteries
Advanced Materials · 2026
Zihao He, Zijun Wang, Yueyao Dong, Kolesnikov Aleksei Viktorovich, Shuwei Hao, Chunhui Yang, Yuanpeng Liu, Liwei Dong
Read original paper ↗ ·Density Functional Theory–Machine Learning-Assisted Insightful Identification of Next-Generation High-Voltage Organic Dual-Ion Batteries
Chemistry of Materials · 2026
Poulami Paul, Souvik Manna, Sandeep Das, Biswarup Pathak
Read original paper ↗ ·Automated Pipeline for High-Throughput Screening of 2D Electrode Materials for Alkali Metal-Ion Batteries
ACS Materials Letters · 2026
Souvik Manna, Biswarup Pathak
Read original paper ↗ ·Adaptive Reduction of Multicollinearity for Machine Learning Prediction of CO Adsorption Energies on Single Atoms
Precision Chemistry · 2026
Kyoichi Sawabe, Takumi Tsukiyama, Akira Oda, Atsushi Satsuma
Read original paper ↗ ·Data driven intelligent research and development of gel electrolyte: Methods, challenges and cutting-edge trends
Green Energy & Environment · 2026
Yuanchuan Ren, Renjie Huang, Shiyong Zhao, Xuejun Zhu, Yuhang Lin, Tingfeng Su, Cheng Wang, Nanqi Ren
Read original paper ↗ ·