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1+ hour, 42+ min ago   (1001+ words) Oxygen feels like the most ordinary thing in the world now. We breathe it, plants make it, and most animals depend on it." But for most of Earth's history, oxygen wasn't a stable part of the atmosphere at all. Scientists…...

2+ hour, 22+ min ago   (497+ words) Researchers have developed a new artificial intelligence agent, El Agente Estructural, capable of precisely manipulating molecular structures in three dimensions using natural language instructions, offering a significant advance over existing molecular modelling techniques by directly mimicking expert human control without…...

2+ hour, 38+ min ago   (462+ words) A broken-symmetry DFT approach was employed to describe low-spin reactive channels, balancing computational cost with the need to account for multiconfigurational character in the reactions. This methodology successfully duplicated previously characterised potential energy surfaces for radical NSO and SNO, confirming…...

2+ hour, 58+ min ago   (278+ words) This work introduces an active space UCCSD(4)/MP2 method, effectively partitioning the complex calculations to make them tractable for both classical computers and emerging quantum hardware. The methodology centres on a truncation of UCCSD, performed within a selected active space, coupled…...

4+ hour, 20+ min ago   (1278+ words) On a winter morning, stepping onto a patch of ice can feel like stepping onto a hidden tightrope. What makes ice so slippery, and why it sometimes feels more treacherous than expected, is a question that has puzzled scientists for…...

4+ hour, 33+ min ago   (895+ words) Most materials have an inherent capacity to handle heat. Plastic, for instance, is typically a poor thermal conductor, whereas materials like marble move heat more efficiently. If you were to place one hand on a marble countertop and the other…...

4+ hour, 54+ min ago   (615+ words) Strength means different things depending on how a material is used. In material science, the strongest materials are not judged by one number but by how they resist pulling, bending, cracking, or scratching under force. Graphene, steel, and diamond often…...

4+ hour, 55+ min ago   (418+ words) Chemical reactions can produce stunning visual effects that seem almost unreal at first glance. From erupting foam to flashing color changes, these reactions reveal how energy and matter interact in dramatic ways. The examples below showcase real chemistry principles through…...

6+ hour ago   (312+ words) Initial ARPES data of pristine GdPS displayed a small pocket at the Y point and deeper binding energy features, consistent with first principles calculations. Detailed band dispersion mapping along the "-Y-" direction confirmed a substantial band gap of approximately 0.74 eV at…...

6+ hour, 31+ min ago   (334+ words) A unified MPI parallelization strategy underpinned this work, abstracting each computational step of wave function methods as a dynamically-scheduled loop utilising ghost processes. This approach facilitated a global reduction of local results from each node, enabling efficient distribution of computational…...