Papers citing Disentangling Structural Confusion through Machine Learning: Structure Prediction and Polymorphism of Equiatomic Ternary Phases ABC
Machine learning analysis of microwave dielectric properties for seven structure types: The role of the processing and composition
Journal of Physics and Chemistry of Solids · 2021-05-24
Natalia V. Kireeva, Vitaly P. Solov’ev
Read original paper ↗ ·Machine Learning in Solid‐State Chemistry: Heusler Compounds
Encyclopedia of Inorganic and Bioinorganic Chemistry · 2021-06-17
Alexander S. Gzyl, Arthur Mar, Anton O. Oliynyk
Read original paper ↗ ·Coordination Polymers Constructed from Pyrogallol[4]arene-Assembled Metal–Organic Nanocapsules
Accounts of Chemical Research · 2021-07-30
Li Shao, Xiangquan Hu, Kanishka Sikligar, Gary A. Baker, Jerry L. Atwood
Read original paper ↗ ·Element selection for crystalline inorganic solid discovery guided by unsupervised machine learning of experimentally explored chemistry
Nature Communications · 2021-09-21
Andrij Vasylenko, Jacinthe Gamon, Benjamin B. Duff, Vladimir V. Gusev, Matthew J. Rosseinsky, Marco Zanella, J. Felix Shin, Paul M. Sharp, Alexandra Morscher, Ruiyong Chen, Alex Ryan Neale, Laurence J. Hardwick, John B. Claridge, Frédéric Blanc, Michael W. Gaultois, Matthew Stephen Dyer, Matthew J. Rosseinsky
Read original paper ↗ ·Innovative Materials Science via Machine Learning
Advanced Functional Materials · 2021-10-04
Chaochao Gao, Xin Min, Minghao Fang, Tianyi Tao, Xiaohong Zheng, Yangai Liu, Xiaowen Wu, Zhaohui Huang
Read original paper ↗ ·Machine Learning Driven Synthesis of Few-Layered WTe2 with Geometrical Control
Journal of the American Chemical Society · 2021-10-04
Manzhang Xu, Bijun Tang, Yuhao Lu, Chao Fu Zhu, Qianbo Lu, Chao Fu Zhu, Lu Zheng, Jingyu Zhang, Nannan Han, Weidong Fang, Yuxi Guo, Jun Di, Pin Song, Yongmin He, Lixing Kang, Zhiyong Zhang, Wu Yun Zhao, Cuntai Guan, Xuewen Wang, Zheng Liu
Read original paper ↗ ·Search methods for inorganic materials crystal structure prediction
Current Opinion in Chemical Engineering · 2021-10-08
Xiangyu Yin, Chrysanthos E. Gounaris
Read original paper ↗ ·DiSCoVeR: a Materials Discovery Screening Tool for High Performance, Unique Chemical Compositions
Unknown journal · 2021-10-13
Sterling G. Baird, Tran Diep, Taylor D. Sparks
Read original paper ↗ ·DiSCoVeR: a Materials Discovery Screening Tool for High Performance, Unique Chemical Compositions
Unknown journal · 2021-10-18
Sterling G. Baird, Tran Diep, Taylor D. Sparks
Read original paper ↗ ·DiSCoVeR: a Materials Discovery Screening Tool for High Performance, Unique Chemical Compositions
Unknown journal · 2021-10-27
Sterling G. Baird, Tran Diep, Taylor D. Sparks
Read original paper ↗ ·Accelerate Synthesis of Metal–Organic Frameworks by a Robotic Platform and Bayesian Optimization
ACS Applied Materials & Interfaces · 2021-10-28
Yunchao Xie, Chi Zhang, Heng Deng, Bujingda Zheng, Jheng‐Wun Su, Kenyon Shutt, Jian Lin
Read original paper ↗ ·DiSCoVeR: a materials discovery screening tool for high performance, unique chemical compositions
Digital Discovery · 2022-01-01
Sterling G. Baird, Tran Diep, Taylor D. Sparks
Read original paper ↗ ·Machine-learning enabled thermodynamic model for the design of new rare-earth compounds
Acta Materialia · 2022-02-22
Prashant Kumar Singh, Tyler J. Del Rose, Guillermo Vazquez, Raymundo Arróyave, Yaroslav Mudryk
Read original paper ↗ ·Hybrid DFT/Data-Driven Approach for Searching for New Quasicrystal Approximants in Sc-X (X = Rh, Pd, Ir, Pt) Systems
Crystal Growth & Design · 2022-06-07
Roman A. Eremin, Innokentiy S. Humonen, Pavel N. Zolotarev, Inna V. Medrish, Жуков Леонид Евгеньевич, Semen Budennyy
Read original paper ↗ ·Machine Learning for Electrocatalyst and Photocatalyst Design and Discovery
Chemical Reviews · 2022-07-21
Haoxin Mai, Tu C. Le, Dehong Chen, David Alan Winkler, Rachel A. Caruso
Read original paper ↗ ·Data-driven materials discovery and synthesis using machine learning methods
Elsevier eBooks · 2022-11-04
Sterling G. Baird, Marianne Liu, Hasan Muhammad Sayeed, Taylor D. Sparks
Read original paper ↗ ·Assessing comparable bioconcentration potentials for nanoparticles in aquatic organisms via combined utilization of machine learning and toxicokinetic models
SmartMat · 2022-11-07
Shipeng Dong, Zihao Wu, Mingjie Wang, Xiaoyan Sun, Liang Mao
Read original paper ↗ ·Halide-driven polymorph selectivity in the synthesis of MnX (X = S, Se) nanoparticles
Nanoscale · 2023-01-01
Danielle Gendler, Jiaying Bi, Deep Mekan, Ashley Warokomski, Cameron Armstrong, Emil A. Hernández-Pagán
Read original paper ↗ ·Machine learning descriptors in materials chemistry: prediction and experimental validation synthesis of novel intermetallic UCd3
ChemRxiv · 2023-01-03
Sangjoon Lee, Clio Chen, Griheydi Garcia, Anton O. Oliynyk
Read original paper ↗ ·Synthesis and Crystal Structure of the Zintl Phases NaSrSb, NaBaSb and NaEuSb
Materials · 2023-02-08
Yi Wang, Svilen Bobev
Read original paper ↗ ·Representations of Materials for Machine Learning
Annual Review of Materials Research · 2023-04-18
James R. Jr. Damewood, Jessica Karaguesian, Jaclyn R. Lunger, Aik Rui Tan, Mingrou Xie, Jiayu Peng, Rafael Gómez‐Bombarelli
Read original paper ↗ ·Data quantity governance for machine learning in materials science
National Science Review · 2023-05-01
Yue Liu, Zhengwei Yang, Xinxin Zou, Shuchang Ma, Dahui Liu, Maxim Avdeev, Siqi Shi
Read original paper ↗ ·Thermoelectric properties and Kondo transition in the pseudo‐gap metals TiNiSi and TiNiGe
Zeitschrift für anorganische und allgemeine Chemie · 2023-05-16
Ruth A. Downie, Blair F. Kennedy, Rajan Biswas, Ronald I. Smith, Jan‐Willem G. Bos
Read original paper ↗ ·A multiclass classification model for predicting the thermal conductivity of uranium compounds
Journal of Nuclear Science and Technology · 2023-10-20
Yifan Sun, Masaya Kumagai, Mingyu Jin, Eriko Sato, Masako Aoki, Yuji Ohishi, Ken Kurosaki
Read original paper ↗ ·Data-Driven Score-Based Models for Generating Stable Structures with Adaptive Crystal Cells
Journal of Chemical Information and Modeling · 2023-11-10
Arsen Sultanov, Jean‐Claude Crivello, Tabea Rebafka, Nataliya Sokolovska
Read original paper ↗ ·Leveraging machine learning in porous media
Journal of Materials Chemistry A · 2024-01-01
Mostafa Delpisheh, Benyamin Ebrahimpour, Abolfazl Fattahi, Majid Siavashi, Hamed Mir, Hossein Mashhadimoslem, Mohammad Ali Abdol, Mina Ghorbani, Javad Shokri, Daniel Niblett, Khabat Khosravi, Shayan Rahimi, Seyed Mojtaba Alirahmi, Haoshui Yu, Ali Elkamel, Vahid Niasar, Mohamed Mamlouk
Read original paper ↗ ·Towards quantitative evaluation of crystal structure prediction performance
Computational Materials Science · 2024-01-23
Lai Wei, Q. Li, Sadman Sadeed Omee, Jianjun Hu
Read original paper ↗ ·Low Lattice Thermal Conductivity-Driven Promising Thermoelectric Figure of Merit in NaSrSb and NaBaSb Zintl Phases
The Journal of Physical Chemistry C · 2024-02-07
Chandan Kumar Vishwakarma, Mohd Zeeshan, Brajesh Kumar Mani
Read original paper ↗ ·Predicting Bioaccumulation of Nanomaterials: Modeling Approaches with Challenges
Environment & Health · 2024-03-19
Hang Zeng, Zhuoyan Lv, Xiaoyan Sun, Yang Tong, Wei Wu, Shipeng Dong, Liang Mao
Read original paper ↗ ·High-Temperature Oxidation-Resistance of Rare-Earth Transition Metal Silicides: Crystal Chemistry Insights from the Sc–Os–Si System
Chemistry of Materials · 2024-07-11
Jacob C. Hickey, Arman M. Karimaghaei, Matt Flores, Gordon G. C. Peterson, Jakoah Brgoch
Read original paper ↗ ·Compositional optimization of rare earth permanent magnetic alloy by machine learning
Journal of Magnetism and Magnetic Materials · 2024-11-23
Lingyao Zhang, Tianhao Su, Yaning Cui, Guanhua Qin, Shihui Yan, Shunbo Hu, Xu Sun, Yang Li, Hang Su, Wei Li Ren
Read original paper ↗ ·Machine learning prediction of materials properties from chemical composition: Status and prospects
Chemical Physics Reviews · 2024-12-01
Mohammed Alghadeer, Nufida D. Aisyah, Mahmoud Hezam, Saad M. Alqahtani, Ahmer A.B. Baloch, Fahhad H. Alharbi
Read original paper ↗ ·Composition and structure analyzer/featurizer for explainable machine-learning models to predict solid state structures
Digital Discovery · 2025-01-01
Emil I. Jaffal, Sangjoon Lee, Danila Shiryaev, Alex Vtorov, Nikhil Kumar Barua, Holger Kleinke, Anton O. Oliynyk
Read original paper ↗ ·Elemental Reactivity Maps for Materials Discovery
Chemistry of Materials · 2025-02-21
Yuki Inada, M. Fujioka, Haruhiko Morito, Tohru Sugahara, Hisanori Yamane, Yukari Katsura
Read original paper ↗ ·Recent strides in artificial intelligence for predicting thermoelectric properties and materials discovery
Journal of Physics Energy · 2025-02-26
Nikhil Kumar Barua, Sangjoon Lee, Anton O. Oliynyk, Holger Kleinke
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 · 2025-04-18
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 ↗ ·Artificial Intelligence‐Driven Approaches in Semiconductor Research
Advanced Materials · 2025-06-19
Yanping Zheng, Hao Xu, Zhexin Li, Linlin Li, Yongchao Yu, Pengfei Jiang, Yanmeng Shi, Jing Zhang, Yuqing Huang, Qing Luo, Zheng Lou, Lili Wang
Read original paper ↗ ·Operando Evaluation of NIR-Absorbing Squaraine Molecules for Dye-Sensitized Solar Cells: An Informatics-Driven Molecular Machine Learning Framework
ACS Applied Energy Materials · 2025-07-15
Sathish Marimuthu, Andrews Nirmala Grace
Read original paper ↗ ·Polymorphism Crystal Structure Prediction with Adaptive Space Group Diversity Control
Advanced Science · 2025-09-26
Sadman Sadeed Omee, Lai Wei, Sourin Dey, Jianjun Hu
Read original paper ↗ ·Dataset of prototype structures adopted by intermetallic compounds with AB stacking
Data in Brief · 2025-10-10
Balaranjan Selvaratnam, Emil I. Jaffal, Danila Shiryaev, Anton O. Oliynyk
Read original paper ↗ ·Enhanced Néel Temperature and Unusual Thermal Expansion in Flux-Grown FeCrAs Crystals
Inorganic Chemistry · 2025-11-12
Michael A. McGuire, Matthew S. Cook, Brenden R. Ortiz, Jiaqiang Yan, Andrew F. May
Read original paper ↗ ·Machine learning–driven thermoelectric materials: Review on prediction, optimization, and discovery
Journal of Alloys and Compounds · 2025-12-20
Xinmei Zhang, Xingxing Wang, Wei Wang, Zhipeng Yuan, Jin Zhang Peng, Jianjun Shi, Peng He, Yunfeng Chang
Read original paper ↗ ·Disentangling Structural Patterns in Quaternary Germanides with Materials Informatics and Exploratory Synthesis: RE 4 IrInGe 4 ( RE = Y, Ce–Nd, Sm, Gd, Ho–Er) Series
Inorganic Chemistry · 2026-03-31
Anna Ponomarev, Balaranjan Selvaratnam, Emil I. Jaffal, Danila Shiryaev, Anton O. Oliynyk
Read original paper ↗ ·Structure–Optical Property Relationships in AMM′Q 3 Chalcogenides
Chemistry of Materials · 2026-06-10
Ayat Tassanov, Huiju Lee, Daniel W. Spainhour, Yi Xia, James M. Hodges
Read original paper ↗ ·Crystal Structure Prediction of Inorganic Materials: A Benchmark and Modern Evaluation
Advanced Intelligent Discovery · 2026-09-21
Lai Wei, Sadman Sadeed Omee, Rongzhi Dong, Nihang Fu, Yuqi Song, Edirisuriya M. Dilanga Siriwardane, Meiling Xu, Ming Hu, Chris M. Wolverton, Jianjun Hu
Read original paper ↗ ·