65 citations · 65 across the 1 of their papers we have counts for
5 papers
State-of-the-art models for the phase diagram of carbon and diamond nucleation
Luca M. Ghiringhelli, C. Valeriani, J. H. Los +3
We review recent developments in the modelling of the phase diagram and the kinetics of crystallization of carbon. In particular, we show that a particular class of bond-order pote…
High pressure diamond-like liquid carbon
Luca M. Ghiringhelli, Jan H. Los, Evert Jan Meijer +2
We report density-functional based molecular dynamics simulations, that show that, with increasing pressure, liquid carbon undergoes a gradual transformation from a liquid with loc…
Ab Initio Molecular Dynamics Study of Aqueous Solvation of Ethanol and Ethylene
Titus S. van Erp, Evert Jan Meijer
The structure and dynamics of aqueous solvation of ethanol and ethylene are studied by DFT-based Car-Parrinello molecular dynamics. We did not find an enhancement of the structure…
Ab initio molecular dynamics study of liquid methanol
Jan-Willem Handgraaf, Titus S. van Erp, Evert Jan Meijer
We present a density-functional theory based molecular-dynamics study of the structural, dynamical, and electronic properties of liquid methanol under ambient conditions. The calcu…
Colloid-polymer mixtures in the protein limit
Peter G. Bolhuis, Evert Jan Meijer, Ard A. Louis
We computed the phase-separation behavior and effective interactions of colloid-polymer mixtures in the "protein limit", where the polymer radius of gyration is much larger than th…