activity
20192025
most citedRelative importance of nonlinear electron-phonon coupling and vertex corrections in the Holstein model

37 citations · 58 across the 4 of their papers we have counts for

collaborators
Showing 2019Show all

1 paper · 1 filter

physics.chem-ph2019

Modeling solid-liquid interface reactions with next generation extended Lagrangian quantum-based molecular dynamics

Kevin G. Kleiner, Aparna Nair-Kanneganti, Christian F. A. Negre +2

We demonstrate the applicability of extended Lagrangian Born-Oppenheimer quantum-based molecular dynamics (XL-BOMD) to model electron transfer reactions occurring on solid-liquid i…