29–31 Jul 2026
Nancy Rothwell Building, University of Manchester, Manchester, UK
Europe/London timezone

Multimodal AI for Materials Design

31 Jul 2026, 15:00
30m
2B.020 (Nancy Rothwell Building, University of Manchester, Manchester, UK)

2B.020

Nancy Rothwell Building, University of Manchester, Manchester, UK

Nancy Rothwell Building, The University of Manchester, Oxford Road, Manchester, M13 9PL
Talk (invited) Invited talks

Description

Artificial intelligence (AI) is accelerating materials prediction and design by enabling efficient exploration of chemical and structural spaces, with particular promise for novel materials discovery. However, novelty in materials discovery encompasses chemical plausibility, structural distinctiveness, property relevance and experimental realisability, making AI-driven novelty claims difficult to substantiate. We introduce a materials property hierarchy, from intrinsic, composition-determined properties to extrinsic, processing-dependent performance, to clarify deployment constraints and distinguish structural, physical and deployment novelty. This framework motivates an evidence-based view of multimodal materials data spanning chemical composition, microstructure, processing, and testing and characterisation, showing that current evidence remains concentrated in composition and idealised structure while heterogeneous, under-represented and weakly integrated modalities limit support for physical and deployment novelty. It also highlights the limitations of benchmarks based mainly on computational labels and proxy novelty criteria. Community-wide standards for data collection, modality alignment and evidence synthesis are needed to support multimodal data construction, process-aware multimodal modelling, feasibility-first generative modelling and deployment-aware benchmarking, so that generative and multimodal AI can design experimentally realisable materials with defensible scientific and practical novelty.

Author

Xianyuan Liu (University of Sheffield)

Presentation materials

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