All modelling articles
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ResearchModelling suggests waste heat from AI data centres could power carbon capture and water purification
Analysis considering thermodynamics, economics and emissions shows how AI could flip its environmental footprint to become both water-positive and carbon-negative
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ResearchIncorrect pKa values have slipped into chemical databases and could distort drug design
Confusion in zwitterionic compounds leads to misrepresented data in widely used repositories such as ChEMBL
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NewsNobel prize in physics goes to research on complex physical systems
Syukuro Manabe, Klaus Hasselmann and Giorgio Parisi improved our understanding of everything from atoms to Earth’s climate
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OpinionHow values influence decisions in science
Empirical evidence is not always sufficient to determine the models we use
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ResearchSimulations solve 200-year-old ionic mystery of water
Puzzle of why hydronium ions diffuse quicker than hydroxide ions cleared up
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NewsVirtually chemistry
Gaming-style tech is putting the fun into fundamental molecular simulations
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WebinarFuture chemistry: exploring the possibility space
Find out how to accelerate discovery by understanding vast and complex chemistry problems with visual and predictive data modelling
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ResearchImmense oganesson projected to have no electron shells
Theory predicts that element 118 would be surrounded by a smear of electrons
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ResearchSmall data unpicks complex interactions
Machine learning models complex physical systems with sparse datasets
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ResearchNanosized ice crystals might be the most cubic possible
Ultrafast freezing at supersonic speed produces ice with 80% cubic crystal structure
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ResearchDuller sea spray may mean climate models need a rethink
Underestimation of aerosols’ water absorption means reflectivity is lower than expected