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Max Planck Institute for Polymer Research, Ackermannweg 10, Mainz, Germany, Engineering Laboratory, University of Cambridge, Trumpington St., Cambridge, UK, Lennard-Jones Centre, University of Cambridge, Trinity Ln, Cambridge, CB2 1TN, UK
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Widely used short-ranged MLIPs can spuriously predict metallization in water due to missing long-range electrostatics, a flaw that can be fixed by including these interactions explicitly.
Forget generic MLIPs: MACE-POLAR-1 nails long-range electrostatics, slashing errors in protein-ligand binding and crystal energies.
