Search Results - "Butler KT"

A literature-derived dataset of migration barriers for quantifying ionic transport in battery materials.

Authors: Devi R Balasubramanian A Butler KT et al.

Source: Scientific data [Sci Data] 2025 Dec 05; Vol. 12 (1), pp. 1922. Date of Electronic Publication: 2025 Dec 05.

Publication Type: Journal Article

Journal Info: Publisher: Nature Publishing Group Country of Publication: England NLM ID: 101640192 Publication Model: Electronic Cited Medium: Internet ISSN: 2052-4463 (Electronic) Linking ISSN: 20524463 NLM ISO Abbreviation: Sci Data Subsets: MEDLINE; PubMed not MEDLINE

Computational Modeling of Indoor Organic Photovoltaics: Dataset Curation, Predictive Analysis, and Machine Learning Approaches.

Authors: Yu, Hung-Nien Chen, Hsu-Yuan Sharma, Ganesh D. et al.

Source: Archives of Computational Methods in Engineering; Jan2026, Vol. 33 Issue 1, p325-338, 14p

Achieving excellent nonlinear optical performance via "dimensionality elevation"-driven transformation from centrosymmetric to non-centrosymmetric structures.

Authors: Jiang, Lin-Tao Chen, Jun-Long Zhang, Ming-Shu et al.

Source: SCIENCE CHINA Chemistry. Jan2026, Vol. 69 Issue 1, p151-156. 6p.

Empowering scientific discovery with explainable small domain-specific and large language models.

Authors: Yu, Hengjie Wang, Yizhi Cheng, Tao et al.

Source: Artificial Intelligence Review; Dec2025, Vol. 58 Issue 12, p1-39, 39p

Integration of machine learning with finite element analysis in materials science: a review.

Authors: Li, Chong Yang, Shaobin Zheng, Haoyuan et al.

Source: Journal of Materials Science; May2025, Vol. 60 Issue 20, p8285-8307, 23p

Leveraging transfer learning for accurate estimation of ionic migration barriers in solids.

Authors: Devi R Butler KT Sai Gautam G

Source: Npj computational materials [NPJ Comput Mater] 2026; Vol. 12 (1), pp. 88. Date of Electronic Publication: 2026 Feb 02.

Publication Type: Journal Article

Journal Info: Publisher: npg, nature partner journals in partnership with Shanghai Institute of Ceramics, Chinese Academy of Sciences (SICCAS) Country of Publication: England NLM ID: 101776172 Publication Model: Print-Electronic Cited Medium: Internet ISSN: 2057-3960 (Electronic) Linking ISSN: 20573960 NLM ISO Abbreviation: NPJ Comput Mater Subsets: PubMed not MEDLINE

Continuous discovery of novel 2D materials via dual active learning-driven generative models.

Authors: Chen, Xinyu Song, Zhilong Lu, Shuaihua et al.

Source: National Science Review. Apr2026, Vol. 13 Issue 7, p1-11. 11p.

A comprehensive comparative investigation of thick layer and microcrystalline CsPbBr3 perovskite material: optical and electrical properties.

Authors: Brahim, H. Chiba, I. Hassen, F. et al.

Source: Journal of Materials Science: Materials in Electronics; Apr2024, Vol. 35 Issue 11, p1-10, 10p

Combining reinforcement learning with graph convolutional neural networks for efficient design of TiAl/TiAlN interfaces.

Authors: Jiang, Xinyu Sun, Haofan Nian, Qiong et al.

Source: Journal of the American Ceramic Society; Aug2025, Vol. 108 Issue 8, p1-18, 18p

Designing and screening single‐atom alloy catalysts for CO2 reduction to CH3OH via DFT and machine learning.

Authors: Zhou, Wenyu Feng, Haisong Zhou, Shihong et al.

Source: AIChE Journal; Mar2025, Vol. 71 Issue 3, p1-13, 13p

Intelligent Materials Improvement Through Artificial Intelligence Approaches: A Systematic Literature Review: Intelligent Materials Improvement Through Artificial Intelligence Approaches...: J. G. B. A. Lima et al.

Authors: Lima, José G. B. A. Gomes, Anderson S. L. de Almeida-Filho, Adiel T.

Source: Archives of Computational Methods in Engineering; Mar2025, Vol. 32 Issue 2, p693-705, 13p

Artificial Intelligence Empowered New Materials: Discovery, Synthesis, Prediction to Validation.

Authors: Cao, Ying Fu, Hong Lu, Jian et al.

Source: Nano-Micro Letters. 1/10/2026, Vol. 18 Issue 1, p1-39. 39p.

Synergistically boosting charge separation and surface activity for efficient solar-powered cathodic metal protection.

Authors: Xie, Hui Nie, Guangyao Fang, Yuchen et al.

Source: Carbon Neutrality. 1/5/2026, Vol. 5 Issue 1, p1-16. 16p.

Machine Learning-Accelerated Materials Genome Design of Hybrid Fiber Composites for Electric Vehicle Lightweighting.

Authors: Liao, Chin-Wen Lin, En-Shiuh Huang, Wei-Lun et al.

Source: Journal of Polymer Materials. 2026, Vol. 43 Issue 1, p1-20. 20p.

XQueryer: an intelligent crystal structure identifier for powder X-ray diffraction.

Authors: Cao, Bin Zheng, Zinan Liu, Yang et al.

Source: National Science Review. Dec2025, Vol. 12 Issue 12, p1-14. 14p.

Automated elucidation of crystal and electronic structures in boron nitride from X-ray absorption spectra using uniform manifold approximation and projection.

Authors: Hasegawa, Reika Varadwaj, Arpita Foggiatto, Alexandre Lira et al.

Source: Scientific Reports. 11/10/2025, Vol. 15 Issue 1, p1-12. 12p.

Electron transport layer materials of perovskite solar cells.

Authors: Jia, Gaojun Fang, Yi Song, Xiaoli et al.

Source: Journal of Materials Science; May2025, Vol. 60 Issue 18, p7466-7491, 26p

Unveiling the electronic origin of lanthanide based Metal Organic Framework with ideal spin filtering capacity.

Authors: Gastearena, Xuban Ugalde, Jesus M. Pieslinger, German E. et al.

Source: Communications Physics. 5/17/2024, Vol. 7 Issue 1, p1-6. 6p.

Reimagining the Philosophy of Experimentation in Chemistry Education: Embracing AI as a Tool for Scientific Inquiry.

Authors: Reyes, Ronald L. Regala, Jennifer D.

Source: Science & Education. Jun2026, Vol. 35 Issue 3, p709-754. 46p.

Subject Terms: *Chemistry education, *Scientific experimentation, *Artificial intelligence, *Educational technology, Scientific method, Artificial intelligence & ethics, Laboratory techniques

Flexible Metal–Organic Frameworks for Gas Handling Operations of CO2 and Its Isotopes: Mechanisms, Regulation Strategies and Potential Applications.

Authors: Geng, Na Liu, Ningyu Chu, Sai et al.

Source: Nano-Micro Letters. 5/18/2026, Vol. 18 Issue 1, p1-40. 40p.