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CECAM-DE-MMS

Mathematics and Computation in Molecular Simulation

Location
Berlin - Erlangen - Paderborn

Website
https://de-mms.cecam.org

Director
Felix Höfling

Consortium

- Zuse Institute Berlin
- Friedrich-Alexander-Universität Erlangen-Nürnberg
- Paderborn University

Overview

The node focuses on the development and application of computational methods in atomistic and molecular simulation. Specific topics of research at the participating institutions are:

- Optimised numerical algorithms for simulation and control
- Advanced data analyses for molecular systems
- Methods for electronic structure calculations
- Multi-scale modelling and simulation of complex molecular systems
- Energy-efficient high-performance computing
- Emerging computing paradigms and innovative hardware