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Proposing Institution

Lehrstuhl für Thermodynamik (LTD), Technische Universität Kaiserslautern
Project Manager

Prof. Dr.-Ing. Maximilian Kohns
Erwin-Schrödinger-Str. 44
67663 Kaiserslautern
In the present project, molecular modeling and simulation is used to study nanoscale processes. Large-scale molecular dynamics simulations are carried out using the massively-parallel simulation program ls1 mardyn, which has been highly optimized for use on SuperMUC in previous projects of the applicants. In the present project, ls1 mardyn is applied to study phenomena which are important in mechanical engineering, such as wetting and machining of surfaces, and in process engineering, such as the enrichment of components at fluid interfaces. Part of the research program is a continuation of previous efforts by the group of applicants, but also new applications of ls1 mardyn are targeted. Within the present project, new features will be introduced in the ls1 mardyn code and also tools for an even more efficient use of the code will be developed.

Impressum, Conny Wendler