collaborators

1 paper

physics.comp-ph2025

Hydroxide Mobility in Aqueous Systems: Ab Initio Accuracy with Millisecond Timescales

Jonas Hänseroth, Daniel Sebastiani, Jakob Scholl +2

We present a multiscale simulation approach for hydroxide transport in aqueous solutions of potassium hydroxide, combining ab initio molecular dynamics (AIMD) simulations with forc…