emle-engine: a flexible electrostatic machine learning embedding package for multiscale molecular dynamics simulations (2023)
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
Publication URI: http://dx.doi.org/10.26434/chemrxiv-2023-6rng3
Type: Preprint