Project Details

Professorin Dr. Barbara Kirchner

Address Rheinische Friedrich-Wilhelms-Universität Bonn
Clausius-Institut für Physikalische und Theoretische Chemie
Mulliken Center for Theoretical Chemistry
Beringstraße 4
53115 Bonn

Projects

As Applicant
- Completed projects
  - Solvatationseffekte chemischer Phänomene mittels Car-Parrinello Molekulardynamik (Research Fellowships)
  - A Modular Approach to Multi-responsive Surfactant/peptide (SP) and Surfactant/peptide/nanoparticle (SPN) Hybrid Materials (Research Grants)
  - Development of Dual Transition Metal Activation for Methane and Carbon Dioxide and further Processing to Carbamate Formation (Research Grants)
  - Understanding and development of molecular machines on a microscopic level (Research Grants)
  - Calculation to study reactions and impurities in ionic liquids as well as the gas phase behavior and thermal stability (Priority Programmes)
  - Understanding mixtures of complicated liquids from theoretical studies (Research Grants)
  - Ionic Liquids in the Synthesis and Tuning of Porous Materials: Knowledge-based Design of Properties Using a Combined Experimental and Theoretical Approach (Priority Programmes)
  - Understanding solution based syntheses of inorganic materials in ionic liquids: Peering into the reaction mechanism from birth to age (Priority Programmes)
  - Deep Eutectic Solvents: Solvent, water, and first steps of reactions involving biomass (Research Grants)
As Leader
- Completed projects
  - Computer-Cluster mit 45 Knoten (Major Research Instrumentation)
As Participating Researcher
- Completed projects
  - GSC 185: Leipzig School of Natural Sciences - Building with Molecules and Nano-objects (BuildMoNa) (Graduate Schools)
As Project Head
- Current projects
  - Modern Monte Carlo Approaches with Machine Learning Potentials for Material Science Applications (Collaborative Research Centres)
  - Uncertainty Quantification in Computational Chemistry (Collaborative Research Centres)
  - Integrating HPC-simulations with Data-Analysis for Structure Formation in Chemistry (Collaborative Research Centres)
- Completed projects
  - Templateffekte in Lösungsmitteln und unter Zwangsbedingungen (Collaborative Research Centres)
  - Solvent effects and dynamics of spin centers (Collaborative Research Centres)
As Cooperation Partner
- Completed projects
  - Low-temperature Synthesis of Thermoelectric Materials by Thermal Decomposition of Tailor-made Precursors in Ionic Liquids (Priority Programmes)

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Hauptnavigation

Professorin Dr. Barbara Kirchner

Additional Information

Servicenavigation

Hauptnavigation

Professorin Dr. Barbara Kirchner

Additional Information

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