Publications of C. R. Herbers

Johnston, K.; Herbers, C. R.; van der Vegt, N. F. A.: Development of Classical Molecule-Surface Interaction Potentials Based on Density Functional Theory Calculations: Investigation of Force Field Representability. Journal of Physical Chemistry C 116 (37), pp. 19781 - 19788 (2012)

Herbers, C. R.; Johnston, K.; van der Vegt, N. F. A.: Modelling molecule-surface interactions-an automated quantum-classical approach using a genetic algorithm. Physical Chemistry Chemical Physics 13 (22), pp. 10577 - 10583 (2011)

Fritz, D.; Herbers, C. R.; Kremer, K.; van der Vegt, N. F. A.: Hierarchical modeling of polymer permeation. Soft Matter 5 (22), pp. 4556 - 4563 (2009)