Physical chemistry – Page 6
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CareersWorking at the forefront of AI
Petrina Kamya’s curiosity has led her across sectors to become a leader in drug discovery
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ResearchHalf-century quest to create stable beryllium–beryllium bond ends in success
Organoberyllium sandwich compound should provide answers to questions first posed a century ago
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ResearchHand-built caesium-based ‘artificial atoms’ used to create ‘synthetic’ benzene
Manufactured atoms offer chemists chance to play ‘mind games’ with matter and change bond order of molecules
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ArticleA three step strategy to make your research more sustainable
How chemistry data can make your reactions greener
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OpinionHow van der Waals first linked liquids and gases
150 years ago, a doctoral thesis changed our understanding of matter
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ResearchIdentifying single atoms with x-ray specificity
Combining synchrotron x-rays with scanning tunnelling microscopy gives atomic resolution
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WebinarCutting-edge cosmetics: innovating for sustainability with machine learning & molecular simulations
Learn how to save cost, reduce time and drive innovation in developing sustainable cosmetic formulations
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ResearchNew neural networks calculate catalysts’ adsorption energy ‘with lightning-fast speed’
AI has been used to overcome the problems of modelling massive molecules on metal surfaces, which could accelerate the design of efficient catalysts
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ResearchStudy untangles friction and surface chemistry in chemically damaged hair
Researchers develop system that can be used to screen the tribological performance of hair care formulations
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OpinionOrganic chemists should place their trust in machine learning’s black box
Submitting to the higher power of abstraction can strengthen our insights
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OpinionScientific authorship in the time of ChatGPT
With AI-generated texts here to stay, we need to recognise that intellectual work is much more than just writing
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OpinionInterpreting the impact of AI large language models on chemistry
LLMs may outperform Alphafold, but currently struggle to identify simple chemical structures
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ResearchMelodies make molecules manipulable with musical machine models
Software represents molecules with sounds, rather than text and pictures
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Research‘Dynamic bonds’ reshape the rules of aromaticity and chirality
Discoveries could contribute to new understanding of organic chemistry, triggering applications in catalysis and materials science
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ResearchHarvesting water from the air with organic crystals
Discovery could lead to novel technologies for fighting water scarcity
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ResearchMachine learning ecosystem evolves MOF design
Mofdscribe handles all stages from collecting data to evaluating performance
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ResearchAI identifies molecules from their featureless visible spectrum
Forget about trying to interpret peaks and let machine learning identify organic compounds from their entirely smooth visible spectrum
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ResearchOpen source software could deliver huge time savings for computational chemists
Program could improve efficiency of operations and automated solutions
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ResearchDataset with millions of entries set to help AI find new drugs
Neural networks perform better when trained on larger datasets