65 citations · 102 across the 3 of their papers we have counts for
4 papers
How water wets and self-hydrophilizes nanopatterns of physisorbed hydrocarbons
Diego Diaz, Ole Nickel, Nicolas Moraga +8
Weakly bound, physisorbed hydrocarbons could in principle provide a similar water-repellency as obtained by chemisorption of strongly bound hydrophobic molecules at surfaces. Here…
Molecular simulation of thermosetting polymer hardening: reactive events enabled by controlled topology transfer
Robert H. Meißner, Julian Konrad, Benjamin Boll +2
We present a quantum mechanical / molecular mechanics (QM/MM) to tackle chemical reactions with substantial molecular reorganization. For this, molecular dynamics simulations with…
Electrical Double Layer Capacitance of Curved Graphite Electrodes
Jannes Seebeck, Peter Schiffels, Sabine Schweizer +2
To improve the understanding of the relation between electrode curvature and energy storage mechanisms, a systematic investigation of the correlation between convex and concave ele…
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…