Elena Kolodzeiski
E-Mail: elena.kolodzeiski@tum.de
Projects:
- Embedding cluster models for (electro)-catalysts
- Development and application of embedding cluster models for electronic structure analysis
Nicola Bogo
Office: Theoretical Chemistry 62108
E-Mail: nicola.bogo@tum.de
Projects:
- Charge transfer in supramolecular cage structures
- Electron structure methods for excited states
- Member of the graduate school Confinement-Controlled Chemistry
Dipesh Somvanshi
Email: dipesh.somvanshi@tum.de
Projects:
- Structural exploration using large-scale canonical Monte-Carlo methods
- Estimation of uncertainties in parameter-poor model systems
Siyavash Moradi
E-Mail: siyavash.moradi@tum.de
Projects:
- Development of spin dependent tight-binding methods (DFTB)
- Investigation of short-range correlation of empirical tight-binding methods.
- Automated DFTB parameter optimizations
Alessandro Mangiameli
E-Mail: ale.mangiameli@tum.de
Office: 62111
Project:
- Electrolyte modeling for electrocatalytic reactivity studies
Tatiana Nikolaeva
E-Mail: tatiana.nikolaeva@tum.de
Office: 62111
Project:
- Development of machine learning frameworks to enhance the accuracy of low-cost methods for modeling electrochemical processes in batteries and electrocatalysts
- Automated parameter optimization of quantum-chemical models
