Author: dwl38@cam.ac.uk

Machine learning potentials and foundation models are changing atomistic simulation — but to truly raise the bar, we need to break out of the standard DFT reference. Our new paper, published as J. Chem. Theory Comput. (2025) 21, 22, 11710–11720, pushes that frontier: we demonstrate a Δ-learning route towards coupled-cluster accuracy for the condensed phase, […]

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In this study, we uncovered a previously unknown reaction mechanism, showing that CO₂ can react at the interface with similar energetics to the bulk phase. This finding challenges the common assumption that surface reactions are suppressed, and has important implications for climate models and our understanding of carbon uptake by the oceans. Congratulations to Sam, […]

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Congratulations to Xavi, who just published his first lead-author paper as ACS Nano (2025) 19, 18, 17728–17737: a major milestone and a fantastic piece of work! In this study, we tackled a long-standing question: how do protons and hydroxide ions behave at the graphene-water interface? While it’s well-known that protons like to hang out at […]

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