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- Journal Article
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- open access
Machine learning potentials for metal-organic frameworks using an incremental learning approach
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Nuclear quantum effects on zeolite proton hopping kinetics explored with machine learning potentials and path integral molecular dynamics
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Quantum free energy profiles for molecular proton transfers
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DFT-quality adsorption simulations in metal-organic frameworks enabled by machine learning potentials
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- Journal Article
- A1
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Accurately determining the phase transition temperature of CsPbI3 via random-phase approximation calculations and phase-transferable machine learning potentials