The future of quantum takes center stage at NY Tech Week
News
Peter Hess
Materials Discovery
It can take over 10 years to come up with new materials. At IBM Research, we’re looking to accelerate the discovery process using new AI methods, robotics, the hybrid cloud, and quantum computers. Our goal is to unlock new properties and materials to address global challenges in years not decades.
Our work
Meet IBM’s new family of AI models for materials discovery
NewsKim MartineauA new tool for accelerating the discovery of new materials
ResearchPeter HessResolving the odd-number cyclo[13]carbon
Technical noteLeo Gross and Florian AlbrechtResolving the first anti-aromatic carbon allotrope
Technical noteLeo GrossAn AI foundation model that learns the grammar of molecules
NewsPayel Das, Youssef Mroueh, Inkit Padhi, Vijil Chenthamarakshan, Jerret Ross, and Brian Belgodere- See more of our work on Materials Discovery
Projects
We're developing technological solutions to assist subject matter experts with their scientific workflows by enabling the Human-AI co-creation process.
Publications
Test-Time Tuned Language Models Enable End-to-end De Novo Molecular Structure Generation from MS/MS Spectra
- Laura Mismetti
- Marvin Alberts
- et al.
- 2026
- ICLR 2026
Workshop paperSafer materials advisor: Identification and characterization of materials of concerns
- Viviane T. Silva
- Kristin Schmidt
- et al.
- 2026
- ACS Spring 2026
PosterPrincipled Latent-Variable Modeling Enables Efficient Conditional Molecular Design
- Partha Suryanarayanan
- Bc Kwon
- et al.
- 2026
- ACS Spring 2026
TalkDataset Definition in AI for Chemistry: Insights from Data Science Practitioners in Battery and PFAS Research
- Juliana Jansen Ferreira
- Joao Henrique Gallas Brasil
- et al.
- 2026
- ACS Spring 2026
Conference paperHigh-throughput search of topological materials for interconnects using first-principles transport calculations and machine learning
- Kai Wagoner-oshima
- Michelle Guo
- et al.
- 2026
- APS Global Physics Summit 2026
TalkMetal-Oxide Resist Develop Method Down-Select and Process Optimization
- Nicholas Latham
- Belle Antonovich
- et al.
- 2026
- SPIE Advanced Lithography + Patterning 2026
Conference paper
Featured work
Project Photoresist
We used our accelerated discovery process to identify and synthesize a novel photoacid generator in less than a year — far quicker than it usually takes.