#quantumchemistry — Public Fediverse posts

`Hirshfeld atom refinement (HAR) has begun to emerge as an alternative, potentially more accessible, quantum crystallography approach for experimentally visualizing covalency, but it has remained limited and technically impracticable regarding heavy element complexes... Here, we apply HAR to two extreme test cases of clusters containing three proximate heavy actinides exhibiting multi-center thorium-thorium bonding.`

https://doi.org/10.1016/j.chempr.2026.103107

#Thorium #quantumChemistry

China's LineShine Supercomputer: A Sense of Scale ⚡🖥️

China's LineShine 灵晟 supercomputer is the most powerful supercomputer in the world 🌍, delivering a verified 2.198 exaFLOPS on the TOP500 benchmark. That means it can perform more than 2 quintillion (2×10¹⁸) calculations every second 🚀. The system consumes 42.2 megawatts of electricity ⚡ and is powered by more than 13.7 million conventional CPU cores 🧠.

The Scale of Its Computing Power 📊

Compared to Humanity 👥: If every person on Earth performed one mathematical calculation every second, without stopping ⏱️, it would take the entire global population about 4 years 📅 to equal the amount of computation LineShine completes in a single second.

Consumer Hardware 💻: Matching LineShine's sustained performance would require more than 20 million of today's fastest consumer graphics cards 🖥️, such as an RTX 5090, working together in perfect synchronization 🔗.

LineShine demonstrates the extraordinary scale of modern high-performance computing (HPC), enabling scientific calculations that would be practically impossible using conventional computers 🚀.

#Supercomputer #LineShine #Exascale #Exaflop #HPC #HighPerformanceComputing #Technology #Innovation #Science #Engineering #Computing #CPU #ParallelComputing #ClimateScience #WeatherForecasting #Neuroscience #QuantumChemistry #Physics #MolecularScience #DataScience #ArtificialIntelligence #AI #Research #STEM #FutureTech #DigitalEarth #ComputerScience #TechFacts #NextGenComputing #TOP500

Earth’s core too hot ‘n heavy for oxygen, but may have rusty coating - Enlarge (credit: Hubble Site)
We live on the most comfortable of planets. It may not be too visib... more: https://arstechnica.com/?p=1598901 #quantumchemistry #earthscore #science