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AI for Materials Discovery

Artificial IntelligenceUpdated Oct 5, 2026Version v1

Knowledge Timeline Gaps (1)Evidence (83)Community (0)

Evidence

Public papers linked to this topic and used as evidence for gaps, timelines, and knowledge views.

33 papers

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Showing 13-24 of total 33 evidence records.

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2025CrossrefDirectly related1 citations

From large language models to AI agents in energy materials research: enabling discovery, design, and automation

Tongao Yao; Junming Huang; Yujie Yan; Yang Yang; Ziye Wang; Xuqiang Shao; Zhengyang Gao; Weijie Yang

Dec 19, 2025AI Agent

2025Semantic ScholarDirectly related0 citations

Quantum-Aware Generative AI for Materials Discovery: A Framework for Robust Exploration Beyond DFT Biases

Mahule Roy; G. Lambard

Dec 13, 2025arXiv.org0 influential

2025Semantic ScholarDirectly related0 citations

(Invited) AI for ALD: Accelerating Process Development, Materials Discovery, and Scale up

Angel Yanguas-Gil

Nov 24, 2025ECS Meeting Abstracts0 influential

2025Semantic ScholarDirectly related2 citations

Towards a Generalizable AI for Materials Discovery: Validation through Immersion Coolant Screening

Hyunseung Kim; Dae-Woong Jeong; Changyoung Park; Won-Ji Lee; Ha-Eun Lee; Ji-Hye Lee; Rodrigo Hormazabal; Sung-Moon Ko; Sumin Lee; Soorin Yim; Chanhui Lee; Sehui Han; Sang-Ho Cha; Woohyung Lim

Oct 27, 2025arXiv.org0 influential

2025CrossrefDirectly related10 citations

Artificial Intelligence and Generative Models for Materials Discovery: A Review

Albertus Denny Handoko; Riko I Made

Jan 1, 2025World Scientific Annual Review of Functional Materials

2024CrossrefDirectly related2 citations

Exploring phase transitions in CdSe: a machine learning and swarm intelligence approach

Meiyan Wang; Rishi Rao; Li Zhu

Dec 26, 2024Journal of materials Informatics

2024CrossrefDirectly related5 citations

Predictive models for inorganic materials thermoelectric properties with machine learning

Delchere Don-tsa; Messanh Agbeko Mohou; Kossi Amouzouvi; Malik Maaza; Katawoura Beltako

Sep 1, 2024Machine Learning: Science and Technology

2024Semantic ScholarDirectly related0 citations

Quantum-Chemistry Enabled AI for Materials Discovery for Energy Storage

R. Assary

Aug 9, 2024ECS Meeting Abstracts0 influential

2024OpenAlexDirectly related128 citations

Accelerating Computational Materials Discovery with Machine Learning and Cloud High-Performance Computing: from Large-Scale Screening to Experimental Validation

Chi Chen; Dan Thien Nguyen; Shannon Lee; Nathan Baker; Ajay Karakoti; Linda Lauw; Craig Owen; Karl T. Mueller; Brian A. Bilodeau; Vijayakumar Murugesan; Matthias Troyer

Jul 9, 2024Journal of the American Chemical Society

2024CrossrefDirectly related5 citations

Advancing sustainability: Biodegradable electronics and materials discovery through artificial intelligence

Mahboubeh Motadayen; Nehru Devabharathi; Shweta Agarwala

Jul 3, 2024International Journal of AI for Materials and Design

2023CrossrefDirectly related45 citations

Machine Learning Approches for Evaluating the Properties of Materials

Nanna Ahlmann Ahm

Jun 10, 2023Journal of Computational Intelligence in Materials Science

2022OpenAlexDirectly related410 citations

Interpretable and Explainable Machine Learning for Materials Science and Chemistry

Felipe Oviedo; Juan Lavista Ferres; Tonio Buonassisi; Keith T. Butler

Jun 3, 2022Accounts of Materials Research

Page 2 of 3Showing 13-24 of total 33 results.

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