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High-performance Computing in Materials Science
The research group High Performance Computing in Materials Science at ICAMS is working on the development of parallel methods and algorithms for the efficient simulation of materials science applications on different levels of approximation. Apart from original research, the group has strong links to the other ICAMS departments and supports the development of simulation codes and the efficient parallelization of programs developed at ICAMS.
Currently, the group’s work focuses on various topics, represented by the three departments at ICAMS, i.e. Atomistic Modelling and Simulation (AMS), Scalebridging Thermodynamic and Kinetic Simulation (STKS) and Micromecanical and Macroscopic Modelling (MMM). Recently, we have concentrated on highly efficient implementations of particle based simulation methods, e.g. molecular dynamics, the combination of Monte Carlo and molecular dynamics (MD) in a parallel environment, parallel phase field simulations, and the problem of load balancing for different methods.