Full Papers
Original research contributions with substantial technical depth and experimental validation.
Machine Learning/CORE Unranked
AI4Mat-NeurIPS 2026
AI for Accelerated Materials Design - NeurIPS 2026
AI4Mat-NeurIPS 2026 is a workshop focused on the intersection of artificial intelligence and materials science, aiming to foster collaboration between researchers in machine learning and materials discovery. It provides a platform for presenting novel AI-driven methods for materials design, characterization, and property prediction, aligned with the NeurIPS conference.
Key deadlines
Verified September 9, 2026Full paper
August 30, 2026
AoE
Conference timeline
Submission and decisions
Full paperKey deadline
August 30, 2026 · AoE
Paper fit
Contribution paths
A strong submission should clearly identify its contribution and evaluate it appropriately.
Short Papers
Preliminary results, novel ideas, or work-in-progress with clear potential for impact.
Datasets and Benchmarks
Publicly available datasets, curated benchmarks, or evaluation protocols for AI in materials science.
Software Tools
Open-source software, libraries, or frameworks that enable AI research in materials science.
Research areas in scope
01
Research Topics
Machine learning for materials discoveryGenerative models for materials designPhysics-informed neural networks for materialsMultimodal learning for materials dataExplainable AI for materials scienceActive learning and Bayesian optimization for materials experimentsGraph neural networks for molecular and crystal structuresTransfer learning across materials datasetsAI for high-throughput screening and property predictionAI-driven characterization of materials (e.g., microscopy, spectroscopy)Data curation and benchmark datasets for materials AIAI for sustainable materials and green chemistryAI for quantum materials and topological systemsIntegration of AI with computational materials physics (DFT, MD)
Policies worth checking twice
- Submissions must be anonymized for double-blind review.
- Full papers are limited to 8 pages, short papers to 4 pages, excluding references.
- Dual submission to other peer-reviewed venues is not allowed during review.
- Author lists and affiliations may not be changed after the submission deadline.
- All submissions must include a statement on the use of AI tools in the research and writing process.
Official sources
Compiled from the official call for papers. The organizers’ pages remain authoritative.
Official conference siteSubmissionsSubmissions - AI4Mat-ICLR-2026Submissions - AI4Mat-NeurIPS-2025Submissions - AI4Mat-ICLR-2025Submissions - AI4Mat-NeurIPS-2024
Last verified September 9, 2026