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
Breaking the von Neumann bottleneck using phase-change materials
ResearchNew algorithm accelerates materials screening by working smart, not hard
ResearchAI discovery of a new way to enter a cell could boost molecular design
ResearchThe Discovery Accelerator comes to Europe
News- See more of our work on Materials Discovery
Tools + code
RoboRXN for Chemistry
A unique tool for digital chemistry. Language models based on transformers can predict the most likely outcome of a chemical reaction and perform retrosynthetic analysis. RoboRXN can also program hardware to produce a molecule in a remotely accessible, autonomous chemical laboratory.
View project ↗Deep Search Knowledge Graph of COVID-19 Literature
IBM is providing free access to its COVID-19 Knowledge Graph, which is part of its Corpus Processing Service. This knowledge graph integrates COVID-19 data from various sources.
View project ↗IBM Molecule Generation Experience
An AI-driven molecular inverse-design platform, which automatically designs brand new molecular structures rapidly and diversely.
View project ↗RXNmapper
A chemically agnostic attention-guided reaction mapper.
View project ↗CIRCA
CIRCA enables easy search, visualization, and flexible export options of chemically-annotated data from publicly available patents and other data sources.
View project ↗
Publications
Flaviu Cipcigan, James McDonagh, et al.2021ACS Fall 2021
Nathaniel Park, Pedro Arrechea, et al.2021ACS Fall 2021
Pedro Arrechea, Nathaniel Park, et al.2021ACS Fall 2021
Yue Cao, Payel Das, et al.2021ICML 2021
Sarathkrishna Swaminathan, Dmitry Zubarev, et al.2021ICML 2021
Rodrigo F. Neumann, Mariane Barsi-Andreeta, et al.2021Scientific Reports
