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emle-engine: a flexible electrostatic machine learning embedding package for multiscale molecular dynamics simulations (2024)

First Author: Zinovjev K

Attributed to: Simulating catalysis: Multiscale embedding of machine learning potentials funded by EPSRC

Abstract

No abstract provided

Bibliographic Information

Digital Object Identifier: http://dx.doi.org/10.26434/chemrxiv-2023-6rng3-v2

Publication URI: http://dx.doi.org/10.26434/chemrxiv-2023-6rng3-v2

Type: Preprint