Agentic AI and Machine Learning for Accelerated Materials Discovery and Applications
Fuente:
arXiv
Saved in:
| Main Authors: | Chen, Jihua, Christakopoulos, Panagiotis, Chen, Karuna D., Ivanov, Ilia N., Advincula, Rigoberto |
|---|---|
| Format: | Preprint |
| Published: |
2026
|
| Subjects: | |
| Online Access: | |
| Tags: |
Add Tag
No Tags, Be the first to tag this record!
|
Similar Items
AI/ML-Driven Surface Plasmon Resonance (SPR) and Spectroscopy: Materials Interfaces and Autonomous Experiments
by: Advincula, Rigoberto, et al.
Published: (2026)
by: Advincula, Rigoberto, et al.
Published: (2026)
Chemical Reaction Engineering and Catalysis: AI/ML Workflows and Self-Driving Laboratories
by: Advincula, Rigoberto, et al.
Published: (2026)
by: Advincula, Rigoberto, et al.
Published: (2026)
AI for Manufacturing and Healthcare: a chemistry and engineering perspective
by: Chen, Jihua, et al.
Published: (2024)
by: Chen, Jihua, et al.
Published: (2024)
Advanced Manufacturing with Renewable and Bio-based Materials: AI/ML workflows and Process Optimization
by: Advincula, Rigoberto, et al.
Published: (2026)
by: Advincula, Rigoberto, et al.
Published: (2026)
Enhanced Capacitance in Surfactant Mediated Ion Complexes
by: Chen, Jihua, et al.
Published: (2023)
by: Chen, Jihua, et al.
Published: (2023)
Polymer Brushes and Grafted Polymers: AI/ML-Driven Synthesis, Simulation, and Characterization towards autonomous SDL
by: Advincula, Rigoberto C., et al.
Published: (2026)
by: Advincula, Rigoberto C., et al.
Published: (2026)
AI-Driven Accelerated Discovery of Intercalation-type Cathode Materials for Magnesium Batteries
by: Chen, Wenjie, et al.
Published: (2024)
by: Chen, Wenjie, et al.
Published: (2024)
Accelerating Complex Materials Discovery with Universal Machine-Learning Potential-Driven Structure Prediction
by: An, Yuqi, et al.
Published: (2026)
by: An, Yuqi, et al.
Published: (2026)
Materials Discovery With Quantum-Enhanced Machine Learning Algorithms
by: Graña, Ignacio F., et al.
Published: (2025)
by: Graña, Ignacio F., et al.
Published: (2025)
Decoratypes: An Extensible Crystal Taxonomy for Machine Learning-Guided Materials Discovery
by: Miller, Kyle D., et al.
Published: (2025)
by: Miller, Kyle D., et al.
Published: (2025)
Illustrating an Effective Workflow for Accelerated Materials Discovery
by: Mulukutla, Mrinalini, et al.
Published: (2024)
by: Mulukutla, Mrinalini, et al.
Published: (2024)
Beyond Beryllium: AI-Accelerated Materials Discovery for Interstellar Spacecraft Shielding
by: Li, Yue, et al.
Published: (2026)
by: Li, Yue, et al.
Published: (2026)
Beyond Predicted ZT: Machine Learning Strategies for the Experimental Discovery of Thermoelectric Materials
by: Athar, Shoeb, et al.
Published: (2026)
by: Athar, Shoeb, et al.
Published: (2026)
Agentic Fusion of Large Atomic and Language Models to Accelerate Superconductor Discovery
by: Li, Mingze, et al.
Published: (2026)
by: Li, Mingze, et al.
Published: (2026)
AGAPI-Agents: An Open-Access Agentic AI Platform for Accelerated Materials Design on AtomGPT.org
by: Lee, Jaehyung, et al.
Published: (2025)
by: Lee, Jaehyung, et al.
Published: (2025)
Bgolearn: a Unified Bayesian Optimization Framework for Accelerating Materials Discovery
by: Cao, Bin, et al.
Published: (2026)
by: Cao, Bin, et al.
Published: (2026)
Machine Learning Accelerates Raman Computations from Molecular Dynamics for Materials Science
by: Egger, David A., et al.
Published: (2025)
by: Egger, David A., et al.
Published: (2025)
Accelerated Materials Discovery through Cost-Aware Bayesian Optimization of Real-World Indentation Workflows
by: Chawla, Vivek, et al.
Published: (2025)
by: Chawla, Vivek, et al.
Published: (2025)
Applications of Machine Learning in Polymer Materials: Property Prediction, Material Design, and Systematic Processes
by: Li, Hongtao Guo Shuai Li Shu
Published: (2025)
by: Li, Hongtao Guo Shuai Li Shu
Published: (2025)
Machine Learning-Guided Discovery of Temperature-Induced Solid-Solid Phase Transitions in Inorganic Materials
by: López, Cibrán, et al.
Published: (2025)
by: López, Cibrán, et al.
Published: (2025)
Accelerating Cathode Material Discovery through Ab Initio Random Structure Searching
by: Zhu, Bonan, et al.
Published: (2021)
by: Zhu, Bonan, et al.
Published: (2021)
Symmetry Relation Database and Its Application to Ferroelectric Materials Discovery
by: Zhu, Qiang, et al.
Published: (2022)
by: Zhu, Qiang, et al.
Published: (2022)
MADE: Benchmark Environments for Closed-Loop Materials Discovery
by: Malik, Shreshth A, et al.
Published: (2026)
by: Malik, Shreshth A, et al.
Published: (2026)
Accelerated Inorganic Materials Design with Generative AI Agents
by: Takahara, Izumi, et al.
Published: (2025)
by: Takahara, Izumi, et al.
Published: (2025)
34 Examples of LLM Applications in Materials Science and Chemistry: Towards Automation, Assistants, Agents, and Accelerated Scientific Discovery
by: Zimmermann, Yoel, et al.
Published: (2025)
by: Zimmermann, Yoel, et al.
Published: (2025)
Forbidden p-d Orbital Coupling Accelerates High-Power-Factor Materials Discovery
by: Xiong, Wu, et al.
Published: (2025)
by: Xiong, Wu, et al.
Published: (2025)
Developing a Complete AI-Accelerated Workflow for Superconductor Discovery
by: Gibson, Jason B., et al.
Published: (2025)
by: Gibson, Jason B., et al.
Published: (2025)
How Can Machine Learning Accelerate CALPHAD Free Energy Modeling?
by: Shen, Chen, et al.
Published: (2026)
by: Shen, Chen, et al.
Published: (2026)
Accelerating Amorphous Alloy Discovery: Data-Driven Property Prediction via General-Purpose Machine Learning Interatomic Potential
by: Gong, Xuhe, et al.
Published: (2025)
by: Gong, Xuhe, et al.
Published: (2025)
Enhancing Magnetocaloric Material Discovery: A Machine Learning Approach Using an Autogenerated Database by Large Language Models
by: Yuan, Jiaoyue, et al.
Published: (2024)
by: Yuan, Jiaoyue, et al.
Published: (2024)
Bridging Theory and Experiment in Materials Discovery: Machine-Learning-Assisted Prediction of Synthesizable Structures
by: Xin, Yu, et al.
Published: (2025)
by: Xin, Yu, et al.
Published: (2025)
A Data-driven Framework to Accelerate the Discovery of Hybrid Cathode Materials for Metal-based Batteries
by: Biby, Ahmed H., et al.
Published: (2024)
by: Biby, Ahmed H., et al.
Published: (2024)
Accelerating Discovery of Ternary Chiral Materials via Large-Scale Random Crystal Structure Prediction
by: Song, Jiexi, et al.
Published: (2025)
by: Song, Jiexi, et al.
Published: (2025)
From Photons to Electrons: Accelerated Materials Discovery via Random Libraries and Automated Scanning Transmission Electron Microscopy
by: Slautin, Boris, et al.
Published: (2026)
by: Slautin, Boris, et al.
Published: (2026)
Accelerating Discovery of Metal-Insulator Transition Compounds Using Physics-Informed Machine Learning
by: Georgescu, Alexandru B., et al.
Published: (2024)
by: Georgescu, Alexandru B., et al.
Published: (2024)
Machine Learning-Driven Creep Law Discovery Across Alloy Compositional Space
by: Chen, Hongshun, et al.
Published: (2026)
by: Chen, Hongshun, et al.
Published: (2026)
Machine Learning - Driven Materials Discovery: Unlocking Next-Generation Functional Materials - A review
by: Nematov, Dilshod, et al.
Published: (2025)
by: Nematov, Dilshod, et al.
Published: (2025)
AI-accelerated Discovery of Altermagnetic Materials
by: Gao, Ze-Feng, et al.
Published: (2023)
by: Gao, Ze-Feng, et al.
Published: (2023)
A Materials Map Integrating Experimental and Computational Data via Graph-Based Machine Learning for Enhanced Materials Discovery
by: Hashimoto, Yusuke, et al.
Published: (2025)
by: Hashimoto, Yusuke, et al.
Published: (2025)
"DIVE" into Hydrogen Storage Materials Discovery with AI Agents
by: Zhang, Di, et al.
Published: (2025)
by: Zhang, Di, et al.
Published: (2025)
Similar Items
-
AI/ML-Driven Surface Plasmon Resonance (SPR) and Spectroscopy: Materials Interfaces and Autonomous Experiments
by: Advincula, Rigoberto, et al.
Published: (2026) -
Chemical Reaction Engineering and Catalysis: AI/ML Workflows and Self-Driving Laboratories
by: Advincula, Rigoberto, et al.
Published: (2026) -
AI for Manufacturing and Healthcare: a chemistry and engineering perspective
by: Chen, Jihua, et al.
Published: (2024) -
Advanced Manufacturing with Renewable and Bio-based Materials: AI/ML workflows and Process Optimization
by: Advincula, Rigoberto, et al.
Published: (2026) -
Enhanced Capacitance in Surfactant Mediated Ion Complexes
by: Chen, Jihua, et al.
Published: (2023)