Articles

  • Jan 16, 2025 | nature.com | Claudio Zeni |Robert Pinsler |Daniel Zügner |Andrew Fowler |Matthew Horton |Xiang Fu | +8 more

    AbstractThe design of functional materials with desired properties is essential in driving technological advances in areas like energy storage, catalysis, and carbon capture1–3. Generative models provide a new paradigm for materials design by directly generating novel materials given desired property constraints, but current methods have low success rate in proposing stable crystals or can only satisfy a limited set of property constraints 4−11.

  • Jan 16, 2025 | microsoft.com | Claudio Zeni |Robert Pinsler |Daniel Zügner |Andrew Fowler

    Materials innovation is one of the key drivers of major technological breakthroughs. The discovery of lithium cobalt oxide in the 1980s laid the groundwork for today’s lithium-ion battery technology. It now powers modern mobile phones and electric cars, impacting the daily lives of billions of people. Materials innovation is also required for designing more efficient solar cells, cheaper batteries for grid-level energy storage, and adsorbents to recycle CO2 from atmosphere.

  • Dec 7, 2023 | microsoft.com | Andrew Fowler |Matthew Horton |Ryota Tomioka |Robert Pinsler

    Generative AI has revolutionized how we create text and images. How about designing novel materials? We at Microsoft Research AI4Science are thrilled to announce MatterGen, our generative model that enables broad property-guided materials design. The central challenge in materials science is to discover materials with desired properties, e.g., high Li-ion conductivity for battery materials.

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