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new machine learning model for molecular simulations
37+ min ago (408+ words) This research was published in Communications Chemistry. Unprecedented robustness of physicsinformed atomic energy models at and beyond room temperature Machine'learned potentials (MLPs) are widely used to approximate quantum mechanical behaviour in molecules, but most existing models become unstable when molecules…...
Scientists Create Ultra-Robust Machine Learning Models for Stable Molecular
35+ min ago (849+ words) In a groundbreaking advancement at the intersection of artificial intelligence and molecular chemistry, researchers from the University of Manchester have unveiled an innovative AI-driven model capable of maintaining stability and accuracy in molecular simulations even under extreme conditions. Published in…...
Enhanced CO2 Photo-Reduction Achieved with Synergistic Pd Sites in Ordered
23+ min ago (304+ words) In the global race to combat climate change and develop sustainable energy technologies, the photocatalytic conversion of carbon dioxide (CO) into valuable fuels and chemicals presents an exceptionally promising avenue. Recently, researchers have unveiled a groundbreaking catalyst design that leverages…...
Industry contamination of soil with toxic metals exposes failure to translate science into policy
50+ min ago (190+ words) Eve Irvine is pleased to welcome Dr. Jagannath Biswakarma, Honorary Senior Research Associate at the University of Bristol. As an environmental scientist, his work focuses on understanding how human activity reshapes the natural systems we depend on, often in ways…...
Scientists develop ultra‑robust machine‑learning models capable of stable molecular simulations at extreme temperatures
39+ min ago (491+ words) image:The idea is there is the red hot glow to show the 'extreme' temperatures of our simulations, and some molecules with blurred motion effects to show that it is a simulation. view more Credit: The University of Manchester, Department…...
Scientists finally discover an ultra-cold metal that spins on its own — It could prevent the next global internet collapse and is 25 times colder than space
57+ min ago (597+ words) Credits: A Chosen Soul, Paul Campbell, Getty Images, Marvin Radke, The Pulse Internal edition Science has made several remarkable discoveries in recent years. The last major internet outage almost led to worldwide panic as several sites shut down, leaving many…...
Textiles with ‘water shield’ nano-coating can be cleaned without detergent.
1+ hour, 22+ min ago (441+ words) A demonstration of how easily the coating can be applied, creating easy-clean clothing Stained and dirty clothes could one day be washed by simply rinsing them with water thanks to a new self-cleaning coating for textiles. The researchers say it…...
New Insights Give Copper Catalysts a Boost as a Cheaper Alternative to Platinum
1+ hour, 38+ min ago (299+ words) Platinum is often used as a catalyst to speed up industrial electrochemical reactions, such as those involved in wastewater treatment and in fuel cells for power generation. Typically, platinum nanoparticles are electrically deposited onto ultra-thin carbon materials to drive these…...
Oyster Shell Material Helps Clean Up Water Polluted With Rare Earth Elements
9+ hour, 52+ min ago (347+ words) New research from a team at Trinity College Dublin has unearthed a cheap and environmentally friendly new option for removing pollutants from our water. The key? Oyster shells that would ordinarily end up in landfill sites after consumption. The research,…...
Room-Temperature Direct Electrochemical Splitting of Liquid Ammonia Enables
1+ hour, 21+ min ago (489+ words) image:Direct electrochemical liquid ammonia splitting enables efficient onsite hydrogen generation at room temperature and low pressure ( image: Direct electrochemical liquid ammonia splitting enables efficient onsite hydrogen generation at room temperature and low pressure ( Credit: Chinese Journal of Catalysis The…...