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Amazing postdoc in my team, @rbeckmann.bsky.social , has now pre-printed his work on ML+MD for surfactant property prediction! 💻🧪 #chemsky Work generously supported via the Intel-Merck Joint Academic Research Center (AWASES). Read on for details: chemrxiv.org/doi/full/10....
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Surfactants are structurally diverse molecules whose interfacial properties are central to a wide range of industrial and scientific applications, yet their systematic evaluation remains challenging due to the cost of both wet-lab experiments and ...
chemrxiv.org
A unified experimental-simulation dataset and surrogate models for surfactant property prediction | ChemRxiv
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