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Published this week, our review articles on machine learning interatomic potentials in @chimiajournal.bsky.social with @rinikerlab.bsky.social : doi.org/10.2533/chim... we put special emphasis on ML/MM approaches that further reduce computational costs compared to DFT #compchem #ml
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Leveraging the Potential of Machine-Learning Interatomic Potentials for QM/MM Simulations | CHIMIA
Felix Pultar