Physical chemistry – Page 6
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WebinarIntroducing Azure Quantum Elements: accelerating scientific discovery
Learn how to accelerate discovery in chemistry and materials science by integrating the latest breakthroughs in HPC, AI and quantum computing
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ResearchNew understanding of why supercooled water droplets sometimes explode when they freeze
Imaging experiments with thousands of observations help scientists detail complex freezing process
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OpinionBeyond the ChatGPT hype
Large language models can be powerful tools for chemistry if we acknowledge their limits
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ResearchChatGPT predicts synthesis conditions for MOFs
Accessible AI tool can assess multitude of protocols for making new porous materials
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ResearchA giant leap for ‘quantum superchemistry’
Ultracold atoms can undergo chemical reactions all at once
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OpinionShape is not enough to distinguish life from abiotic systems
No morphological differences between living and non-living systems are yet known
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ResearchVacuum-field catalysis could change chemistry – but reproducibility concerns linger
Excitement about light–matter coupling results, tempered by lack of agreed-upon mechanism and difficulties reproducing results
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OpinionNavigating the literature torrent
It’s humanly impossible to filter and read everything worthwhile – let’s embrace assistance
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Research86-year old Hammett equation gets a machine learning update
Algorithm opens the door to improved understanding of aromatic substituent effects
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WebinarUsing crystallographic structures & data-driven solutions to advance drug design
The recording for this webinar is now available directly via the CCDC website – see below for details
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ResearchFluorinated ligands stabilise perovskite solar cells
Findings offer new insight into how coatings interact with perovskites
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ResearchCrystal structure prediction tool a ‘significant and thought-provoking advance’
Algorithm needs just the chemical formula to find the ground state of a crystalline compound
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ResearchVan der Waals crust behind simple parameter that can describe chemical bonds
Penetration index provides a fresh perspective on two-atom interactions
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ResearchAI can suggest Covid-19 antivirals from protein sequence alone
IBM model can also find molecules that bind at different sites on target proteins
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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