Physical chemistry – Page 3
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ResearchProteins with multiple structures open up AlphaFold’s black box
AI prediction model often fails to identify fold-switching, helping show how it works and the limits of its usefulness
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OpinionFermi’s questions and the importance of estimation
Knowing how to approximate the unknown is a much undervalued skill
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ResearchChloride ions tunnel free from PVC
Computational clues uncover quantum escape route from common plastic
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NewsPredictions for the 2024 chemistry prize highlight growing importance of AI and computational methods
Protein structure prediction, efficient simulations and clean energy among the fields tipped for recognition by chemistry’s top prize
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ResearchHydrogen dimers finally detected at room temperature
Researchers revisit spectrum of fragile dimer with high-sensitivity spectroscopy
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ResearchScratch-resistant metal oxide films made with simple printing technique
The easy-to-make ultrathin materials are flexible, transparent and ideally suited for use in smartphone screens
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WebinarAccelerating density functional theory for faster calculations
Learn how to significantly speed up simulations on molecular structures with Accelerated DFT
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ResearchThe catalyst speedup toolkit
A rundown of the various strategies scientists are exploring to cheat the Sabatier limit
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FeatureHow a new strategy aims to break the catalytic speed limit
The Sabatier principle normally defines the maximum reaction rate enabled by catalyst materials, but scientists now think that they can go even faster, explains Andy Extance
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ResearchAmorphous clusters across a vast range of sizes found to affect crystal nucleation
The clusters provide sites for nucleation, which contradicts classical nucleation theory
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ResearchOptical trap experiments pick up recoil of a single alpha particle blasting off
High sensitivity measurements were able to detect electrons ejected by force of departing helium nucleus
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NewsRobert Mulliken’s Nobel prize medal latest to go up for auction
Mulliken won the Nobel prize in chemistry in 1966 for developing molecular orbital theory
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ResearchImpossible aerogel that reflects more visible light than it receives prompts scepticism
Material made from salmon sperm and gelatin touted as greener way to cool buildings
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OpinionA common misunderstanding about wave-particle duality
Instead of treating quantum particles as shape-shifters, we should think in terms of probability distributions
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ResearchWater droplets accelerate formation of mineral nanoparticles essential for life
Calculations and experiments reveal that water microdroplets may play role in soil formation
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NewsExplainer: how chemistry powers heat pumps
Seen as an answer to low-carbon heating we look at how they work and what their future holds
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OpinionOur hunger for data could be an unhealthy diet
Synthetic data is both an answer and a problem
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FeatureWhy are computational chemists making up their data?
‘Synthetic data’ is being used in chemistry, but is it something we should worry about? Hayley Bennett explains
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ResearchLabs across the globe networked by AI discover state-of-the-art emitters for lasers
Demonstration shows how algorithms could organise timing and match specialist equipment to experiments
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NewsPhysical chemistry textbook now free to download as a ‘gift’ to the community
Peter Atkins gives away Concepts in Physical Chemistry in collaboration with the Royal Society of Chemistry