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

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Simulating Catalysis: Multiscale Embedding Of Machine Learning Potentials
Van der Kamp, M. W. (Principal Investigator)
1/05/21 → 30/04/24
Project: Research