382 citations · 639 across the 11 of their papers we have counts for
5 papers · 1 filter
Water, not salt, causes most of the Seebeck effect of nonisothermal aqueous electrolytes
Ole Nickel, Ludwig J. V. Ahrens-Iwers, Robert H. Meißner +1
When two electrolyte-immersed electrodes have different temperatures, a voltage can be measured between them. This electrolyte Seebeck effect is usually explained by cations a…
ELECTRODE: An electrochemistry package for atomistic simulations
Ludwig J. V. Ahrens-Iwers, Mathijs Janssen, Shern R. Tee +1
Constant potential methods (CPM) enable computationally efficient simulations of the solid-liquid interface at conducting electrodes in molecular dynamics (MD). They have been succ…
Osmotic transport at the aqueous graphene and hBN interfaces: scaling laws from a unified, first principles description
Laurent Joly, Robert H. Meißner, Marcella Iannuzzi +1
Osmotic transport in nanoconfined aqueous electrolytes provides new venues for water desalination and "blue energy" harvesting; the osmotic response of nanofluidic systems is contr…
i-PI 2.0: A Universal Force Engine for Advanced Molecular Simulations
Venkat Kapil, Mariana Rossi, Ondrej Marsalek +23
Progress in the atomic-scale modelling of matter over the past decade has been tremendous. This progress has been brought about by improvements in methods for evaluating interatomi…
Recognizing Local and Global Structural Motifs at the Atomic Scale
Piero Gasparotto, Robert Horst Meißner, Michele Ceriotti
Most of the current understanding of structure-property relations at the molecular and the supramolecular scales can be formulated in terms of the stability of and the interactions…