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AI for Materials Discovery

Artificial IntelligenceUpdated Jul 30, 2026Version v1

Knowledge Timeline Gaps (1)Evidence (40)Community (0)

Evidence

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

23 papers

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All40 Core17 Supporting23 Background0

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Showing 1-12 of total 23 evidence records.

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2026CrossrefSupporting evidence0 citations

Improving predictive modeling in materials science based on data augmentation approach

Mohamed Hamidi; Mohamed Loutou

Jul 10, 2026Journal of Materials Science: Materials in Engineering

2026CrossrefSupporting evidence0 citations

Transport Novelty Distance: A Distributional Metric for Evaluating Material Generative Models

Paul Hagemann; Simon Müller; Janine George; Philipp Benner

Jul 6, 2026Journal of Physics: Materials

2026CrossrefSupporting evidence0 citations

AI/ML Enabled High‐Throughput Design and Synthesis for Energetic Molecules

Wen Qian

May 19, 2026Materials Genome Engineering Advances

2026CrossrefSupporting evidence9 citations

AI-powered open-source infrastructure for accelerating materials discovery and advanced manufacturing

Mariangeles Salas; Anand Singh; Carlos Pignataro; Lokendra Pal

Feb 17, 2026Communications Materials

2026PubMedSupporting evidence

Raw Data as the Verification Layer: Why AI-Driven Materials Discovery Needs Experimental Infrastructure.

Reeves-McLaren N

Jan 1, 2026ACS omega

2025OpenAlexSupporting evidence18 citations

AI-Accelerated Discovery of Electrocatalyst Materials

Yifan Zeng; Jun Wang; Fengwang Li; Tongliang Liu; Aoni Xu

Oct 18, 2025ACS Materials Au

2025CrossrefSupporting evidence8 citations

Machine learning for predictive design and optimization of high-performance thermoelectric materials: a review

Yuelin Wang; Chengquan Zhong; Jingzi Zhang; Jiakai Liu; Kailong Hu; Junjie Chen; Xi Lin

Jun 24, 2025Journal of materials Informatics

2025CrossrefSupporting evidence0 citations

Predictive modeling of 3D reconstruction trajectories for potential programmable materials

Yechun Jin; Jie Li; Qi Yu; Panghua Tian

Apr 14, 2025Frontiers in Materials

2025OpenAlexSupporting evidence52 citations

AI-accelerated discovery of altermagnetic materials

Ze-Feng Gao; Shuai Qu; Bocheng Zeng; Yang Liu; Ji–Rong Wen; Hao Sun; Peng-Jie Guo; Zhong‐Yi Lu

Feb 22, 2025National Science Review

2025OpenAlexSupporting evidence381 citations

A generative model for inorganic materials design

Claudio Zeni; Robert Pinsler; Daniel Zügner; Andrew T. Fowler; Matthew K. Horton; Xiang Fu; Zilong Wang; Aliaksandra Shysheya; Jonathan Crabbé; Shoko Ueda; Roberto Sordillo; Lixin Sun; Jake A. Smith; Bichlien H. Nguyen; Hannes Schulz; Sarah Lewis; Chin‐Wei Huang; Ziheng Lu; Yichi Zhou; Han Yang; Hongxia Hao; Jielan Li; Chunlei Yang; Wenjie Li; Ryota Tomioka; Tian Xie

Jan 16, 2025Nature

2024CrossrefSupporting evidence3 citations

Predicting materials properties with generative models: applying generative adversarial networks for heat flux generation

Qi Kong; Yasushi Shibuta

May 15, 2024Journal of Physics: Condensed Matter

2023OpenAlexSupporting evidence26 citations

AI-enabled materials discovery for advanced ceramic electrochemical cells

Idris Temitope Bello; Ridwan Taiwo; Oladapo Christopher Esan; Adesola Habeeb Adegoke; Ahmed Olanrewaju Ijaola; Zheng Li; Siyuan Zhao; Chen Wang; Zongping Shao; Meng Ni

Nov 9, 2023Energy and AI

Page 1 of 2Showing 1-12 of total 23 results.

AI for Materials Discovery — Research Evidence and Topic Memory | Kritoma