Papers citing Element selection for crystalline inorganic solid discovery guided by unsupervised machine learning of experimentally explored chemistry
Digital features of chemical elements extracted from local geometries in crystal structures
Digital Discovery · 2025
Andrij Vasylenko, Dmytro Antypov, Sven Schewe, Luke M. Daniels, John B. Claridge, Matthew Stephen Dyer, Matthew J. Rosseinsky
Read original paper ↗ ·Establishing baselines for generative discovery of inorganic crystals
Materials Horizons · 2025
Nathan J. Szymanski, Christopher J. Bartel
Read original paper ↗ ·Immobilization of SnS2/SnO2 heterostructures by rGO for high-capacity lithium storage: A facile thiostannate conversion-oxygen substitution synergistic route
Journal of Energy Storage · 2025
Chengyu Zhu, Jianjiang Mao, Jinyang Zhao, Yuhong Luo, Yijing Qin, Jingde Li, Cheng Lei, Gang Li, Fei Cheng
Read original paper ↗ ·Simultaneous Exploration of Candidates for Electrode and Electrolyte Materials for All-Solid-State Batteries Using Predicted Rating from a Recommender System
ACS Applied Energy Materials · 2025
Toshiya Nakayama, Kenta Watanabe, Yudai Iwamizu, Masaaki Hirayama, Naoki Matsui, Atsuto Seko, Isao Tanaka, Masaaki Hirayama, Masaaki Hirayama
Read original paper ↗ ·AI-empowered digital design of zeolites: Progress, challenges, and perspectives
APL Materials · 2025
Mengfan Wu, Shiyi Zhang, Jie Ren
Read original paper ↗ ·Elemental Reactivity Maps for Materials Discovery
Chemistry of Materials · 2025
Yuki Inada, M. Fujioka, Haruhiko Morito, Tohru Sugahara, Hisanori Yamane, Yukari Katsura
Read original paper ↗ ·Accelerated experimental design using a human–AI teaming framework
Knowledge-Based Systems · 2025
Arun Kumar A V, Alistair Shilton, Sunil Gupta, Shannon Ryan, Majid Abdolshah, Hung Lê, Santu Rana, Julian Berk, Mahad Rashid, Svetha Venkatesh
Read original paper ↗ ·Crystal Structure Prediction
Royal Society of Chemistry eBooks · 2025
Marta Katarzyna Dudek
Read original paper ↗ ·Discovery of Crystalline Inorganic Solids in the Digital Age
Accounts of Chemical Research · 2025
Dmytro Antypov, Andrij Vasylenko, Christopher M. Collins, Luke M. Daniels, George R. Darling, Matthew Stephen Dyer, John B. Claridge, Matthew J. Rosseinsky
Read original paper ↗ ·Unsupervised Machine Learning Prediction of a Novel 1:3 Intermetallic Phase with the Synthesis of TbIr 3 (PuNi 3 -type) as Experimental Validation
Journal of the American Chemical Society · 2025
Siddha Sankalpa Sethi, Arnab Dutta, Emil I. Jaffal, Nishant Yadav, Danila Shiryaev, Brian Hoang, Anirudh Machathi, Sangjoon Lee, Karabi Das, Partha P. Jana, Anton O. Oliynyk
Read original paper ↗ ·Latent retinal structural patterns with aging
npj Digital Medicine · 2025
Kei Sano, Kota Fukai, Ryo Terauchi, Yuko Furuya, Shoko Nakazawa, Kosuke Sakai, Toru Honda, Yuya Watanabe, Takeshi Hayashi, Toru Nakagawa, Tadashi Nakano, Masayuki Tatemichi
Read original paper ↗ ·Interpretable Machine Learning Applications: A Promising Prospect of AI for Materials
Advanced Functional Materials · 2025
Xue Feng Jiang, Huadong Fu, Yang Bai, Lei Jiang, Hongtao Zhang, Weiren Wang, Peiwen Yun, Jingjin He, Dezhen Xue, Turab Lookman, Yanjing Su, Jianxin Xie
Read original paper ↗ ·Topology Augmented with Geometry in the Assembly of Structural Databases: Kagome Intermetallics
Advanced Science · 2025
Nataliya L. Gulay, Dongsheng Wen, Joshua E. Griffiths, Judith Clymo, Luke M. Daniels, Jonathan Alaria, Matthew Stephen Dyer, John B. Claridge, Matthew J. Rosseinsky
Read original paper ↗ ·Machine learning pipelines for the design of solid-state electrolytes
Materials Horizons · 2025
Vinamr Jain, Zhilong Wang, Fengqi You
Read original paper ↗ ·Enabling knowledge discovery from data
Elsevier eBooks · 2026
Krishna Rajan
Read original paper ↗ ·Informatics for thermodynamics: Stability to synthesizability
Elsevier eBooks · 2026
Krishna Rajan
Read original paper ↗ ·Low-dimensional carbon materials to diamond-like phase transitions under extreme conditions: mechanisms, thermodynamic properties and applications
Nanoscale · 2026
Yaowei Zhou, Hong Tian, Fang Li, Pei Zuo, Yiming Ma
Read original paper ↗ ·Next-Generation Electrolytes for Solid-State Batteries
Green energy and technology · 2026
Komal Yadav, Banti, Sumanta Sarkar
Read original paper ↗ ·Perspectives Towards AI and ML
Advances in biochemical engineering, biotechnology · 2026
Guoquan Wu, Zhe Wu
Read original paper ↗ ·Computational Discovery of Li 6 PO 5 I: An Oxide Argyrodite for Solid-State Electrolytes
ACS Applied Energy Materials · 2026
Nane Petrosyan, Areg A. Hunanyan, Olgert L. Dallakyan, Luiza G. Khachatryan, Mikayel T. Sahakyan, Mikayel S. Chobanyan, Hayk Zakaryan
Read original paper ↗ ·Atomic-scale observation of vacancy ordering in magnetite nanoparticles
Ultramicroscopy · 2026
Zlatko Nedelkoski, Paul M. Sharp, J. do Nascimento, Leonardo Lari, Philip J. Hasnip, Sara A. Majetich, Quentin Mathieu Ramasse, Demie M. Kepaptsoglou, Vlado K. Lazarov
Read original paper ↗ ·Crystal structure and property predictions of gallium phosphide via generative adversarial networks
Chinese Chemical Letters · 2026
Yongxiao Zhao, Yali Li, Zian Chen, Rong Li, Hui Li, Lina Xu, Hongping Xiao, Xinhua Li, Xiao Dong He, Guoyong Fang
Read original paper ↗ ·Data-driven strategies for comprehending the kinetic degradation of inorganic solid-state electrolytes in lithium-based batteries: A review
Next Materials · 2026
Chenyu Wang, Jie Shen, Jianhui Chen, Libin Chen, Cuilian Wen, Xiangxin Zhang, Baisheng Sa
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, C. H. Wang, Nanqi Ren
Read original paper ↗ ·AI-accelerated realization of next-generation batteries: status quo and outlook
Current Opinion in Chemical Engineering · 2026
Dr. Ritesh Kumar, Chibueze V. Amanchukwu
Read original paper ↗ ·When Trees Guide Molecules: Multiobjective Search in de Novo Drug Design
Journal of Chemical Information and Modeling · 2026
Maksym Druchok, Andrij A. Rovenchak
Read original paper ↗ ·Octahedral-motif-guided design of optoelectronic semiconductors via interpretable machine learning
Nature Communications · 2026
Xiaomin Yang, Wenyue Zhao, X He, Weidong Fei, Yuanhui Sun, Yu Zhao, Lijun Zhang
Read original paper ↗ ·Machine Learning and Theoretical Computation Synergy Advancing Halide Electrolytes Toward All‐Solid‐State Lithium Batteries: Recent Advances, Challenges, and Perspectives
Advanced Functional Materials · 2026
Jiahui Ye, Ming Gao, Minyu Jia, Jinkai Li, Guangbin Duan, Linrui Hou, Changzhou Yuan, Zongming Liu
Read original paper ↗ ·The diffusion of artificial intelligence methods in scientific research: growth pattern, disciplinary variation, and task alignment
Journal of Informetrics · 2026
Wen Lou, Tan Fu, Mingzhu Gao, Qianqian Xu
Read original paper ↗ ·Fluoride‐Driven Interfacial Engineering: Architecting Functional Layers for High‐Performance Dendrite‐Free Li Metal Batteries
Advanced Energy Materials · 2026
Ao Liu, Jinlun Wu, Yimeng Han, Ihar U. Razanau, Artem Vladimirovich Okulov, Jian‐Gan Wang, Zhe Liu, Fei Xu, Hongqiang Wang
Read original paper ↗ ·