Successful materials innovations can transform society. However, materials research often
involves long timelines and low success probabilities, dissuading investors who have …

Deep generative models have emerged as an exciting avenue for inverse molecular design,
with progress coming from the interplay between training algorithms and molecular …

Designing functional materials requires a deep search through multidimensional spaces for
system parameters that yield desirable material properties. For cases where conventional …

Conspectus Data science has revolutionized chemical research and continues to break
down barriers with new interdisciplinary studies. The introduction of computational models …

The need for robotic science is growing rapidly, as exemplified by a central challenge of
materials discovery. Advances in technology often require better materials. However …

Reaching beyond discovery | Nature Materials Skip to main content Thank you for visiting
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The budding field of materials informatics has coincided with a shift towards artificial
intelligence to discover new solid-state compounds. The steady expansion of repositories for …

Recent transformative advances in computing power and algorithms have made
computational chemistry central to the discovery and design of new molecules and …

The recent rise of computational, data-driven research has significant potential to accelerate
materials discovery. Automated workflows and materials databases are being rapidly …

Materials for organic electronics are presently used in prominent applications, such as
displays in mobile devices, while being intensely researched for other purposes, such as …