Category:
Theoretical and Computational Chemistry
,
Working Paper
, Title:
emle-engine: a flexible electrostatic machine learning embedding package for multiscale molecular dynamics simulations
, Authors:
Kirill Zinovjev, Lester Hedges, Rubén Montagud Andreu, Christopher Woods, Iñaki Tuñón, Marc W. van der Kamp
Version 2 posted 27 February 2024
643
Downloads