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AI crosses catalyst boundaries to uncover new route for green hydrogen

AI crosses catalyst boundaries to uncover new route for green hydrogen Gaby Clark Scientific Editor Robert Egan Associate Editor Discovering new catalysts is one of the central challenges in developing clean-energy technologies such as green hydrogen production. Yet catalyst discovery has traditionally remained confined within individual material families, limiting researchers' ability to transfer knowledge across chemically distinct systems. AI unites separate catalyst families A research...

Phys.org 10d ago

Catalysts that prevent boil-off losses in liquid hydrogen production hold promise for a hydrogen-energy society

Catalysts that prevent boil-off losses in liquid hydrogen production hold promise for a hydrogen-energy society Stephanie Baum Scientific Editor Andrew Zinin Lead Editor A joint research team has discovered high-performance catalysts capable of significantly reducing "boil-off losses," which had been a longstanding issue in liquid hydrogen storage and transportation. These composite catalysts, in which metallic nanoparticles, such as iron, are supported on silicon dioxide (silica) or other...

Phys.org 10d ago

AI-guided catalyst turns CO₂ and waste into fertilizer at industrially relevant rates

AI-guided catalyst turns CO₂ and waste into fertilizer at industrially relevant rates Sadie Harley Scientific Editor Robert Egan Associate Editor Researchers from the National University of Singapore (NUS) have developed a computation-guided strategy to produce urea more efficiently from carbon dioxide and nitrate. By combining large language models, density functional theory calculations and experiments, the approach identified a cadmium-modified iron oxide catalyst that maintains high urea...

Phys.org 5d ago

DigMethpy: An AI-driven platform for accelerating methane pyrolysis catalyst discovery

An AI-driven platform for accelerating methane pyrolysis catalyst discovery Lisa Lock Scientific Editor Robert Egan Associate Editor Researchers have developed a new artificial intelligence-powered platform that could significantly speed up the discovery of catalysts for methane pyrolysis, a promising technology for producing hydrogen with lower carbon emissions. Hydrogen is widely regarded as an important component of future clean-energy systems. However, many current methods of hydrogen...

Phys.org 6d ago

Autonomous heterogeneous catalyst discovery with a self-evolving multi-agent digital twin

arXiv:2606.05050v1 Announce Type: cross Abstract: Theoretical heterogeneous catalysis promises rapid catalyst discovery, yet computational and machine-learning predictions often deviate from experiment and stay confined to narrow material families, for want of a faithful, condition-aware catalytic simulator. We present CatDT (Catalysis Digital Twin), a self-evolving multi-agent system that builds an autonomous digital twin of a working catalyst, unifying gas-solid and liquid-solid modeling....

arXiv CS 2d ago

Autonomous heterogeneous catalyst discovery with a self-evolving multi-agent digital twin

arXiv:2606.05050v1 Announce Type: cross Abstract: Theoretical heterogeneous catalysis promises rapid catalyst discovery, yet computational and machine-learning predictions often deviate from experiment and stay confined to narrow material families, for want of a faithful, condition-aware catalytic simulator. We present CatDT (Catalysis Digital Twin), a self-evolving multi-agent system that builds an autonomous digital twin of a working catalyst, unifying gas-solid and liquid-solid modeling....

arXiv Physics 2d ago

DNA design unlocks nanometer-scale catalyst control for cleaner hydrogen production

The fixed idea that DNA is only a molecule that stores genetic information is being challenged. KAIST researchers have developed a technology that controls the chemical environment around catalysts at the nanometer scale by designing DNA sequences—the arrangement of A, T, G and C that make up genetic information. The team has presented a new catalyst platform that can improve hydrogen production efficiency and increase the yield of desired chemical products by designing DNA much like writing...

Phys.org 1d ago

Catalyst that changes itself could make green hydrogen cheaper

Scientists in Bengaluru have discovered that a catalyst used to produce green hydrogen does something unexpected while on the job: it changes itself. The finding by researchers at the Centre for Nano and Soft Matter Sciences (CeNS), led by Neena S John and PhD scholar Palash Jyoti Gogoi, could help in designing more efficient and durable systems for producing hydrogen, a fuel widely seen as an important part of the transition away from fossil fuels. Hydrogen can be produced by splitting...

Times of India 1d ago

Fast-moving droplets synthesize key drug compounds at room temperature, no catalysts needed

Fast-moving droplets synthesize key drug compounds at room temperature, no catalysts needed Lisa Lock Scientific Editor Robert Egan Associate Editor Chemical reactions are the backbone to nearly all biological processes, including those used to make new medicines. However, these reactions can often take considerable time and require harsh conditions or materials—potentially inhibiting the timely development of life-changing drugs. Purdue University researcher Graham Cooks and his team at...

Phys.org 8d ago

Redesigning an elusive bacterial enzyme into an efficient green catalyst

Redesigning an elusive bacterial enzyme into an efficient green catalyst Sadie Harley Scientific Editor Robert Egan Associate Editor Industrial oxidation chemistry is a cornerstone of modern manufacturing, accounting for nearly one-third of all chemical industrial processes. While essential for making pharmaceuticals, dyes, and many specialty chemicals, industrial oxidation typically relies on high-temperature, high-pressure processes involving toxic oxidizing agents. This has motivated...

Phys.org 7d ago