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emle-engine: A Flexible Electrostatic Machine Learning Embedding Package for Multiscale Molecular Dynamics Simulations
Kirill Zinovjev*, Lester O Hedges, Rubén Montagud Andreu, Christopher Woods, Iñaki Tuñón, Marc W van der Kamp*
*Corresponding author for this work
Research output: Contribution to journal › Article (Academic Journal) › peer-review