Just out in JCTC @JCIM_JCTC: ANKH: A Generalized O(N) Interpolated Ewald Strategy for Molecular Dynamics Simulations. ANKH remains scalable for any size of systems toward & generalized for distributed point multipoles & induced dipoles. doi.org/10.1021/acs.jctc.3c000


Impressive work by Igor Chollet. Funding @ERC_Research (project EMC2). Supercomputing time @Genci_fr. @LCT_UMR7616

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