Laboratories turned to a smart workaround when COVID‑19 testing kits became scarce in 2020. They mixed samples from several patients and ran a single test. If the test came back negative, everyone in it was cleared at once. If it was positive, follow-up tests would zero in on who was infected. That strategy, known as group testing, saved valuable time, money, and resources.
Materials research generates vast amounts of data, but the information often exists in manufacturer-specific formats and the terminology is inconsistent, making it difficult to aggregate, compare, and reuse. Traditionally, researchers have had to spend considerable time on tedious tasks, such as format conversion, metadata assignment, and characteristics extraction.
The CP2K open-source package is among the top three most widely used research software suites worldwide for simulating the behavior of atoms and molecules. Among other applications, CP2K plays an important role in generating data used to train artificial intelligence (AI)-based models that determine molecular energies and forces.
Speeding up drug discovery in the age of AI may come down to a concept that's comfortingly old-fashioned: Consulting a chemistry recipe book.
In a study appearing in Nature Catalysis, researchers from the Inorganic Chemistry Department of the Fritz Haber Institute reveal how structural changes on the surface and in the bulk region of the cobalt oxide catalyst Co3O4 influence its selectivity in the production of industrially relevant chemicals like acetone.
One of Scotland's smallest distilleries is working with Heriot-Watt scientists to find out whether aluminum could replace glass bottles for its Scotch whiskey.
Among clean energy sources, hydrogen (H2) has emerged as the preferred energy carrier, boasting a high calorific value and net zero carbon emissions. Proton-exchange-membrane water electrolysis (PEMWE) is a promising, clean and efficient method that produces high purity H2 with only oxygen as a by-product. Combined with renewable electricity sources, this method can contribute to sustainable H2 production.
Complex sugar-protein molecules that sense external messages to help a cell grow or respond to its environment can now be tracked and analyzed, using a Nobel Prize-winning chemistry technique.
A joint research team from NIMS and University of Tsukuba have developed an autonomous AI network technology that allows multiple autonomous AI systems to efficiently discover new materials by spontaneously collaborating with each other and forming a network. The team demonstrated the effectiveness of the technology through simulations. The research was published in npj Computational Materials on December 9, 2025.
Precise methods for shredding or repairing and replacing specific cancer-causing proteins in a malignant cell, developed at the University of Massachusetts Amherst, could have applications beyond cancer to a wide range of immunological diseases, members of the interdisciplinary research team say. The work was published recently as an article and a Communication in the Journal of the American Chemical Society.
Researchers in the lab of Asst. Prof. Chibueze Amanchukwu at the University of Chicago Pritzker School of Molecular Engineering (UChicago PME) have spent three years looking for failure, scouring the academic literature for tales of battery breakdowns and degraded electrolytes.
Modern cells are complex chemical entities with cytoskeletons, finely regulated internal and external molecules, and genetic material that determines nearly every aspect of their functioning. This complexity allows cells to survive in a wide variety of environments and compete based on their fitness.
Every medication in your cabinet, every material in your phone's battery, and virtually every compound that makes modern life work started as a molecular guess, with scientists hypothesizing that a particular arrangement of atoms might do something useful—kill a bacterial infection, store electrical charge, or absorb sunlight efficiently.
Ammonia is an essential chemical used across many industries worldwide. Beyond its traditional role as a fertilizer, it is also a promising liquid hydrogen carrier and low-carbon fuel that could help reduce reliance on fossil fuels.
A new type of catalyst that uses five times less platinum than usual could help make hydrogen production more affordable in the future.
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