55 citations · 132 across the 6 of their papers we have counts for
8 papers
Hydration structure of diamondoids from reactive force fields
Karol Palczynski, Thorren Kirschbaum, Annika Bande +1
Diamondoids are promising materials for applications in catalysis and nanotechnology. Since many of their applications are in aqueous environments, to understand their function it…
Growth modes of partially fluorinated organic molecules on amorphous silicon dioxide
Mila Miletic, Karol Palczynski, Joachim Dzubiella
We study the influence of fluorination on nucleation and growth of the organic para-sexiphenyl molecule (p-6P) on amorphous silicon dioxide (-SiO) by means of atomistically…
Impact of Polarity on the Anisotropic Diffusion of Conjugated Organic Molecules on (10-10) Zinc Oxide Surface
Mila Miletic, Karol Palczynski, Matheus Jacobs +3
We study the influence of polarity on the binding and diffusion of single conjugated organic molecules on the inorganic (10-10) zinc oxide surface by means of all-atom molecular dy…
Selective solute adsorption and partitioning around single PNIPAM chains
Matej Kanduc, Richard Chudoba, Karol Palczynski +3
Thermoresponsive polymer architectures have become integral building blocks of 'smart' functional materials in modern applications. For a large range of developments, e.g., for dru…
Coarse-grained electrostatic interactions of coronene: Towards the crystalline phase
Thomas Heinemann, Karol Palczynski, Joachim Dzubiella +1
In this article we present and compare two different, coarse-grained approaches to model electrostatic interactions of disc-shaped aromatic molecules, specifically coronene. Our st…
Anisotropic Electrostatic Friction of Organic Molecules on ZnO Surfaces
Karol Palczynski, Joachim Dzubiella
We study the long-time self-diffusion of a single conjugated organic para-sexiphenyl (p-6P) molecule physisorbed on the inorganic ZnO surface by mean…
Angle-resolved effective potentials for disk-shaped molecules
Thomas Heinemann, Karol Palczynski, Joachim Dzubiella +1
We present an approach for calculating coarse-grained angle-resolved effective pair potentials for uniaxial molecules. For integrating out the intramolecular degrees of freedom we…
Potential Biosignatures in Super-Earth Atmospheres II. Photochemical Responses
J. L. Grenfell, S. Gebauer, M. Godolt +6
Spectral characterization of Super-Earth atmospheres for planets orbiting in the Habitable Zone of M-dwarf stars is a key focus in exoplanet science. A central challenge is to unde…