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New Functionals Boost Accuracy Of Catalyst Simulations
38+ min ago (300+ words) A predictive error of just 13 kilojoules per mole, the threshold for reliable chemical modelling, is now attainable for metal-based catalytic reactions. This level of precision promises to accelerate the design of better catalysts for industries ranging from pharmaceuticals to sustainable…...
The Quantum Tremble: Unveiling Why No Molecule Is Ever Perfectly Flat
2+ hour, 29+ min ago (831+ words) In a groundbreaking study that challenges traditional views on molecular structure, researchers at Goethe University Frankfurt have unveiled a startling revelation about the quantum behavior of formic acid molecules. Classical chemistry has long depicted molecules as rigid entities, with atoms…...
Understanding the physics at the anode of sodium-ion batteries
2+ hour, 44+ min ago (46+ words) Researchers reveal new mechanisms governing the storage and the movement of sodium ions in hard carbon nanopore anodes. Understanding the physics at the anode of sodium-ion batteries Researchers reveal new mechanisms governing the storage and the movement of sodium ions…...
Single-atom catalyst produces hydrogen and oxygen simultaneously, slashing costs
2+ hour, 44+ min ago (60+ words) Scientists developed a single-atom iridium catalyst that drives both water-splitting reactions on one electrode, using 98.5% less precious metal for cheaper green hydrogen. Single-atom catalyst produces hydrogen and oxygen simultaneously, slashing costs Scientists developed a single-atom iridium catalyst that drives both…...
Algorithms Design Molecules For Better Laser Technologies
2+ hour, 50+ min ago (717+ words) Researchers have successfully employed multiple evolutionary algorithms to design novel nonlinear optical molecules with enhanced properties, balancing performance with structural diversity despite the computational challenges of exploring vast chemical possibilities. https://quantumzeitgeist.com/wp-content/uploads/Image_fx-9-53.jpg Designing molecules with specific optical properties has long relied…...
Simulations Unlock Heat Transfer In Solid Insulators
3+ hour, 18+ min ago (386+ words) The approach centres on modelling the complex interaction between atomic motion and energy flow at a fundamental level. The Green-Kubo theory provides a framework for relating thermal conductivity to the correlations between energy currents within the solid, allowing scientists to…...
Every Single Headphone That Researchers Tested Contained Horrifying Chemicals
4+ hour, 25+ min ago (347+ words) Eventually, it seems to turn out that every consumer product is killing you " from cooking utensils to menstrual care products, and literally the kitchen sink. Now, one of our most beloved creature comforts is getting its own heel turn. Most…...
World News | Russian Scientists Develop High-efficiency Solar Catalysts for Water Purification
4+ hour, 32+ min ago (330+ words) Get latest articles and stories on World at LatestLY. The research was conducted by experts from MIPT's Centre for Photonics and Two-Dimensional Materials in collaboration with international partners. The team identified the most efficient material structure for photocatalytic activity within…...
AI Workflow Stabilises Complex X-Ray Data Analysis
4+ hour, 47+ min ago (1099+ words) Researchers have developed a new computational workflow, WPEM, which accurately determines the composition and structure of complex materials from X-ray diffraction data even when peaks overlap, by rigorously enforcing the laws of physics during data analysis and achieving greater precision…...
AI Pinpoints Chemical Process Faults With Explanations
5+ hour ago (248+ words) Better fault detection in chemical plants promises safer, more efficient production and reduced environmental impact. Understanding why a system flags an error is as important as detecting it, allowing engineers to quickly pinpoint and resolve problems. New techniques offer a…...