Physical chemistry – Page 3
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ResearchAI could provide new approach to assessing chemical toxicity thresholds in aquatic organisms
Model showed excellent predicative ability and could cut animal testing in pollution research
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ResearchMachine learning could ‘change the paradigm’ for polaritonic chemistry
Model reveals influence of vibrational strong coupling during light-driven reaction
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WebinarInvestigating the behaviour of water at material interfaces
Find out about the behaviour of water at the boundaries of materials
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ResearchNew ‘supermolecule’ demonstrated for the first time at record-breaking ultracold temperature
Largest polyatomic molecule created and stabilised at just above absolute zero provides new insights into quantum chemistry
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ResearchSlow Arrhenius process identified in molecular glasses
Findings challenge common ideas on glassy dynamics
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ResearchGPT-3 trained and tuned to predict molecular properties
A better understanding of Smiles helps GPT-3 recognise chemically relevant patterns
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ResearchMOF-based filter harvests energy from seawater evaporation
Prototype device generates sustained electric current as salt water evaporates
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ArticleMicrosoft’s AI and high-performance computing system powers new battery discovery
Azure Quantum Elements platform speeds up discovery of solid-state electrolyte from decades to weeks
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ResearchNew analysis raises doubts over autonomous lab’s materials ‘discoveries’
Experimental and computational issues flagged as researchers conclude that a fully automated lab failed to make new materials
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WebinarAccelerating materials discovery with HPC and AI
Explore how advancements in computing are accelerating the next frontier of scientific breakthroughs.
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ResearchFirst GPT-4-powered AI lab assistant independently directs key organic reactions
Large language model takes control after being prompted to do Suzuki and Sonogashira couplings
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ResearchComputer vision accelerates self-driving reaction workups from being automated to autonomous
Platform understands significance of solid residues, liquid levels, homogeneity, turbidity and colours
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OpinionCrystal prophecies
There’s no guarantee that making a thermodynamically feasible structure will be easy, or even possible
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ResearchAI flies solo to optimise an organic photovoltaic device
High-throughput workflow guided by artificial intelligence identifies parameters to maximise power conversion efficiency
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OpinionOne year on from ChatGPT’s launch does it offer hope or hype for science?
Chatbots could help chemists but their limitations need to be understood
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NewsArtificial intelligence could ‘revolutionise’ chemistry but researchers warn of hype
Survey of European scientists sees them stress the importance of human experts in chemical research
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ResearchSuperheavy elements forged in giant stellar collisions
Nuclei with mass numbers above 260 are produced in r -process events
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NewsLandmark intellectual property ruling could offer new opportunities for chemists working with AI
UK court’s decision that an artificial neural network can be patented could have widespread ramifications
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CareersOnline resources for chemists
A selection of tools, databases and advice sites to support your research