19 citations · 27 across the 4 of their papers we have counts for
4 papers
Development of models and methods for the molecular simulation of large systems and molecules
Jonathan Walter, Thorsten Merker, Martin Horsch +2
The most important factor for quantitative results in molecular dynamics simulation are well developed force fields and models. In the present work, the development of new models a…
Molecular modeling of hydrogen bonding fluids: Vapor-liquid coexistence and interfacial properties
Martin Horsch, Martina Heitzig, Thorsten Merker +4
A major challenge for molecular modeling consists in optimizing the unlike interaction potentials. In many cases, combination rules are generally suboptimal when accurate predictio…
Comment on "An optimized potential for carbon dioxide" [J. Chem. Phys. 122, 214507 (2005)]
T. Merker, J. Vrabec, H. Hasse
A molecular model for carbon dioxide is assessed regarding vapor-liquid quilibrium properties.Large deviations, being above 15 %, are found for vapor pressure and saturated vapor d…
Comment on "An optimized potential for carbon dioxide"
T. Merker, J. Vrabec, H. Hasse
A molecular model for carbon dioxide is assessed regarding vapor-liquid equilibrium properties. Large deviations, being above 15 %, are found for vapor pressure and saturated vapor…