AI × 2D material growth: Integrated pipeline for process optimization, custom synthesis and mechanism decoding
Peer-Reviewed Publication
Updates every hour. Last Updated: 29-Oct-2026 00:16 ET (29-Oct-2026 04:16 GMT/UTC)
A data-knowledge dual-driven machine-intelligence framework enables experiment-efficient, full-chain synthesis of 2D dendrites. It achieves rapid process optimization within one week, constructs high-fidelity recipe-morphology mappings, and deciphers multifactorial growth mechanisms, requiring <70 experiments, which covers <1.5% of the total parameter combinations.
Researchers have developed a strategy to improve the fire safety of polymer materials by using ZIF-67, a porous metal-organic framework, together with different flame-retardant components. The study explains how ZIF-67 can enhance fire resistance, reduce smoke release and provide a versatile platform for designing safer high-performance polymer composites.
- Professor Sarah Yunmi Lee’s research team in KAIST’s Department of Chemistry developed a strategy to balance radical generation and catalyst regeneration.
- Uses even substances that previously did not react easily, synthesizing target compounds under mild conditions such as room temperature
- Expected to be applied to developing new catalysts for building complex molecules used in pharmaceuticals, bioactive substances, etc.
Researchers at the Institute of Computing Technology, Chinese Academy of Sciences, have developed AtomFlow, a flow-matching model that predicts three-dimensional reactant structures from a product structure. It preserves the number and types of atoms throughout generation. Tested on small organic molecules with no more than seven heavy atoms in the Transition1x benchmark, its MatRIS version achieved 96.2% Top-10 accuracy, meaning that a matching reactant was found among the ten highest-ranked candidates in 96.2% of evaluated cases.
Working backwards from a target molecule to possible precursors, known as retrosynthesis, helps chemists plan syntheses for drug discovery and materials research. Many AI approaches represent molecules as SMILES strings and learn to translate products into reactants. These representations do not explicitly encode three-dimensional atomic coordinates, and sequence generation alone does not guarantee conservation of each element’s atom count. AtomFlow addresses this constraint by keeping the atoms fixed in identity while learning how their coordinates change.
Researchers from the Institute of Coal Chemistry, Chinese Academy of Sciences, have identified the nickel dimer (Ni2) play vital role inCO2 methanation. Encapsulated in MFI zeolite with MnOₓ promotion at only ~0.86% Ni loading, the catalyst achieves ~76% CO2 conversion, ~98% CH4 selectivity and CH4 space time yield of ~450 mol·mol Ni-1·h-1 at 400°C.
China is the world’s largest tea producer, and the tea industry is an important specialty industry for increasing agricultural efficiency and farmers’ income. Frequent tea diseases severely affect yield and quality. Traditional manual diagnosis is inefficient and error-prone, while conventional plant protection operations rely mainly on large-scale pesticide application, resulting in high costs and serious pollution. Current deep learning-based disease detection technologies are easily affected by complex environments in real tea plantations, such as lighting, occlusion, and rainy weather, and their accuracy and stability are insufficient to meet real-time field detection needs, becoming a key bottleneck in the development of smart tea plantations.
Researchers from the Keck School of Medicine of USC are developing a new “plug-and-play” platform that could greatly simplify and speed up the creation of new radiotracers, compounds used in positron emission tomography (PET) scans to visualize diseases such as cancer inside the body and track their progression. The project, supported by a four-year, $2.6 million grant from the National Institute of Biomedical Imaging and Bioengineering, part of the National Institutes of Health, aims to expand the uses of PET imaging, potentially improving patient care while making the technology more affordable and accessible. Scientists can identify promising new biological markers faster than ever, but turning those discoveries into PET tracers remains a challenge. Attaching a radioactive substance to these molecules is a time-consuming and technically demanding process that requires specialized equipment and facilities. To address this bottleneck, the research team is creating a platform that can be used to make a wide range of radiotracers. The platform combines a universal radioactive building block—which can be attached to different biological molecules—with a compact device, about the size of a coffee cup, that rapidly combines the two components to produce new radiotracers. The platform brings together two advanced chemistry approaches: click chemistry and droplet radiochemistry. Click chemistry, a Nobel Prize-winning technique, allows scientists to quickly join molecules together, like buckling a seatbelt. Droplet radiochemistry carries out chemical reactions in extremely small droplets, using tiny amounts of material. Preliminary research suggests the approach can produce new radiotracers that could help detect and study several different types of cancer. One tracer is designed to target fibroblast activation protein, which is found at high levels in many tumors. The team is also testing tracers designed specifically to detect liver and prostate cancer.