Physical chemistry
The latest chemistry news and research on physical chemistry, including quantum and theoretical, bonding, computational and surfaces and interfaces, from the Royal Society of Chemistry's magazine, Chemistry World
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NewsAlphaFold developer says AI is just getting started in science
Chemistry Nobel laureate John Jumper says latest version of AlphaFold is making good progress on interactions between molecules and protein
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ResearchLarge language models are better than humans at answering chemistry questions
AI models outperform human chemists in every topic area. But are they really better chemists?
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NewsGadolinium, lutetium and zirconium all have new atomic weights
Iupac updates of elements’ standard atomic weights follows new evaluations of abundance
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OpinionDid AI just win the Nobel prizes in physics and chemistry?
The importance of the expert eye in scientific progress
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OpinionA high-pressure insight into the structure of water
The hydrogen-bonded network in liquid water resists compression; density increases instead arise from molecules moving into voids
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NewsTwenty ways AI is advancing chemistry
List reveals how machine learning is already changing the central science
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FeatureHow AI protein structure prediction and design won the Nobel prize
David Baker, Demis Hassabis and John Jumper won this year’s Nobel prize in chemistry. Jamie Durrani investigates the origins of a biochemistry revolution
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NewsProtein design and structure prediction wins chemistry Nobel prize
David Baker, Demis Hassabis and John Jumper were rewarded for creating computational tools to design proteins and predict their structures that have ‘revolutionised biological chemistry’
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ResearchQuantum tunnelling explains why several supposedly stable benzene isomers will never be made
Research highlights importance of considering quantum effects in computational studies on strained molecules
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ResearchOne-electron covalent bond between two carbons pushes limits of bonding
Linus Pauling proposed exotic bonds but they have never been seen between two carbons until now
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NewsBeyond hydrogen bonding: new definitions for secondary bonding interactions to end confusion
The 20-year struggle to define secondary bonding interactions
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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