Research Projects

In the following some of our present projects are listed:

Method Development

• Markov State Models: Theory and Algorithms
• Structure preserving model reduction of controlled systems

• Free energy and statistical mechanics of driven systems
• Transition path theory

• Random Walks on Modular Networks
• Computational Time Series Analysis

Molecular Processes / Molecular Dynamics:

• MATHEON Project A19: Modelling and Optimization of Functional Molecules
• From single molecule experiments to models of  molecular kinetics

Complex Networks:

• Chemical Reaction Networks

Proteomics:

• Proteomics Fingerprinting: Classification of high-dimensional proteomics data
• Clinical Degradomics

Quantum Dynamics:

• Selective transport of ions and molecules in nanoscale energy storage devices

• Control of molecular alignment and/or orientiation
• Solvated electrons and in peptides and water

Cellular Processes:

• MATHEON Project A15: Viscosity properties of biomembrane surfaces

• SFB 740 Project D7: From molecular patterns to transport in specific geometries

Pharmacometrics:

• Systems pharmacology of HIV inhibitors

• Model reduction in pharmacology and systems biology

Transfer:

• Innolab „Information-based Medicine“
• Worsening Heart Failure Predictor

Education:

• PlayMolecule