121 citations · 341 across the 7 of their papers we have counts for
7 papers
CO diffusion into amorphous H2O ices
Trish Lauck, Leendertjan Karssemeijer, Katherine Shulenberger +3
The mobility of atoms, molecules and radicals in icy grain mantles regulate ice restructuring, desorption, and chemistry in astrophysical environments. Interstellar ices are domina…
Long-timescale simulations of HO admolecule diffusion on Ice Ih(0001) surfaces
Andreas Pedersen, Leendertjan Karssemeijer, Herma M. Cuppen +1
Long-timescale simulations of the diffusion of a HO admolecule on the (0001) basal plane of ice Ih were carried out over a temperature range of 100 to 200 K using the adaptive…
Diffusion-desorption ratio of adsorbed CO and CO on water ice
L. J. Karssemeijer, H. M. Cuppen
Diffusion of atoms and molecules is a key process for the chemical evolution in the star forming regions of the interstellar medium. Accurate data on the mobility of many important…
Molecular reordering processes on ice (0001) surfaces from long timescale simulations
Andreas Pedersen, Kjartan T. Wikfeldt, Leendertjan Karssemeijer +2
We report results of long timescale adaptive kinetic Monte Carlo simulations aimed at identifying possible molecular reordering processes on both proton-disordered and ordered (Fle…
Interactions of adsorbed CO on water ice at low temperatures
L. J. Karssemeijer, G. A. de Wijs, H. M. Cuppen
We present a computational study into the adsorption properties of CO on amorphous and crystalline water surfaces under astrophysically relevant conditions. Water and carbon di…
Dynamics of CO in Amorphous Water Ice Environments
L. J. Karssemeijer, S. Ioppolo, M. C. van Hemert +4
The long-timescale behavior of adsorbed carbon monoxide on the surface of amorphous water ice is studied under dense cloud conditions by means of off-lattice, on-the-fly, kinetic M…
Phonons of graphene and graphitic materials derived from the empirical potential LCBOPII
L. J. Karssemeijer, Annalisa Fasolino
We present the interatomic force constants and phonon dispersions of graphite and graphene from the LCBOPII empirical bond order potential. We find a good agreement with experiment…