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Categories: Chemistry: General, Mathematics: Modeling

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A special review examines highly-cited papers in statistical ecology. The review, which covers a century of research, details how models and concepts have evolved alongside increasing computational power.

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Physicists and computer scientists have recently expanded the modern theory of the thermodynamics of computation. By combining approaches from statistical physics and computer science, the researchers introduce mathematical equations that reveal the minimum and maximum predicted energy cost of computational processes that depend on randomness, which is a powerful tool in modern computers.

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Collaborative efforts decode the mechanism behind stabilizing cathode doping in electric vehicle batteries.

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Researchers have taken a key step toward closing the silver nanoparticles knowledge gap with a study that indicates the particles' shape and surface chemistry play key roles in how they affect aquatic ecosystems.

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Systems controlled by next-generation computing algorithms could give rise to better and more efficient machine learning products, a new study suggests.

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A method has been discovered to treat water heavily contaminated with unhealthful forever chemicals, known by chemists as PFAS or poly- and per-fluoroalkyl substances. It involves treating heavily contaminated water with ultraviolet (UV) light, sulfite, and a process called electrochemical oxidation. It breaks up strong fluorine-to-carbon bonds in the PFAS compounds and other concentrated organic compounds in heavily polluted water. The reaction also occurs at room temperature without a need for additional heat or high pressure. This method is expected to be useful in cleanups of PFAS pollution from decades of fire suppressant foam use at military facilities.

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Perovskites are among the most researched topics in materials science. Recently, a research team has solved an age-old challenge to synthesize all-organic two-dimensional perovskites, extending the field into the exciting realm of 2D materials. This breakthrough opens up a new field of 2D all-organic perovskites, which holds promise for both fundamental science and potential applications.

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Researchers present Tripath: new, deep learning models that can use 3D pathology datasets to make clinical outcome predictions. The research team imaged curated prostate cancer specimens, using two 3D high-resolution imaging techniques. The models were then trained to predict prostate cancer recurrence risk on volumetric human tissue biopsies. By comprehensively capturing 3D morphologies from the entire tissue volume, Tripath performed better than pathologists and outperformed deep learning models that rely on 2D morphology and thin tissue slices.

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The global chemical industry is a major fossil fuel consumer and climate change contributor; however, new research has identified how the sector could clean up its green credentials by getting dirty.

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Chemists created an enzyme with boronic acid at its reactive center. This approach can produce more selective reactions with boron, and allows the use of directed evolution to improve its catalytic power.

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What determines the cycle life of batteries? And, more importantly, how can we extend it? An international research team has discovered that local disorder in the oxide cathode material increases the number of times Li-ion batteries can be charged and discharged.

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Scientists introduce a large language model-based AI system that revolutionizes chemistry by integrating 18 advanced tools for tasks like organic synthesis and drug discovery.

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Emergency departments nationwide are overcrowded and overtaxed, but a new study suggests artificial intelligence (AI) could one day help prioritize which patients need treatment most urgently.

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Move over, graphene. There's a new, improved two-dimensional material in the lab. Borophene, the atomically thin version of boron first synthesized in 2015, is more conductive, thinner, lighter, stronger and more flexible than graphene, the 2D version of carbon. Now, researchers have made the material potentially more useful by imparting chirality -- or handedness -- on it, which could make for advanced sensors and implantable medical devices.

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In the ever-expanding search for energy resources, a new study has emerged from Mozambique's Maniamba Basin. Mozambique's Maniamba Basin could be a big source of natural gas.

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Researchers have harnessed the technology behind foundation models, which power tools like ChatGPT, to discover new cancer imaging biomarkers that could transform how patterns are identified from radiological images. Improved identification of such patterns can greatly impact the early detection and treatment of cancer.

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Researchers have debunked a 75-year-old theory about how humans determine where sounds are coming from, and it could unlock the secret to creating a next generation of more adaptable and efficient hearing devices ranging from hearing aids to smartphones.

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By using experimental electrochemical analyses, mass spectrometry, and computational quantum chemistry modeling, the researchers created an 'atomic-scale storyline' to explain how ozone is generated on NATO electrocatalysts. They identified that some of the nickel in NATO is probably leaching out of the electrodes via corrosion, and these nickel atoms, now floating in the solution near the catalyst, can promote chemical reactions that eventually generate ozone.

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Why 3,000 bars are needed to take a comprehensive look at a protein: Researchers present a new high-pressure spectroscopy method to unravel the properties of proteins' native structures.

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The direction in which spin information is injected into chiral materials affects its ability to pass through them. These chiral 'gateways' could be used to design energy-efficient spintronic devices for data storage, communication and computing.