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Professor Dr. Karsten Reuter

Address Fritz-Haber-Institut der Max-Planck-Gesellschaft (FHI)
Abteilung Theorie
Faradayweg 4 - 6
14195 Berlin

ORCID-ID 0000-0001-8473-8659

Projects

As Applicant
- Current projects
  - AI-Empowered Universal Workflow for Molecular Design of Performant Photoswitches (Priority Programmes)
- Completed projects
  - Ab initio-Beschreibung der Reaktionskinetik an Realstrukturen der heterogenen Katalyse (Priority Programmes)
  - Adsorbatphasen und Reaktionskinetik auf oxidierten Katalysatoroberflächen (Research Fellowships)
  - Ab initio description of non-adiabatic effects in dissociative adsorption at surfaces (Research Grants)
  - International Collaboration in Chemistry: First Principles Multi-Lattice Kinetic Monte Carlo Simulations of NOx Storage Reduction Catalysts (Research Grants)
  - Redox-Active Metal-Organic Frameworks: Novel Entatic State Catalysts? (Priority Programmes)
  - Ab initio molecular dynamics approach to adsorption processes of complex molecules (Research Grants)
  - First-principles kinetic modeling for solar hydrogen production (Research Grants)
  - First-principles approach to in-situ model catalyst studies (Research Grants)
  - Theoretical Investigation of Spin-Dependent Transport from Adsorbates to Magnetic Substrates (Research Grants)
  - First-Principles Statistical Mechanics Studies of Doped Silicon Clusters: From Isolated Cages to Clusters in Complex Environments (Research Units)
  - Ab initio description of the isomerization dynamics of surface-adsorbed molecular switches (Research Grants)
  - Scaling-relation based kinetic Monte Carlo modeling of higher alcohol synthesis (Research Grants)
  - Molecular and multiscale modelling of the dissolution of active pharmaceutical ingredients (Research Grants)
  - Facilitating the Rational Design of Active Sites for the Oxygen Evolution Reaction on 3d Transition Metal Oxide Catalysts (Research Grants)
  - Transient High-Temperature Oxygen Evolution Reaction (Priority Programmes)
  - Multi-scale modeling of electrochemical interfaces: New methods and applications to RuO2 surfaces (Research Grants)
  - Transition Metal Carbides for Electrochemical CO2 Reduction (Research Grants)
  - Lead-free Double Perovskite Materials for Photovoltaic Applications (Priority Programmes)
As Spokesperson
- Current projects
  - EXC 2089: e-conversion (Clusters of Excellence (ExStra))
As Project Head
- Completed projects
  - Ab initio Untersuchungen zur Funktionalität molekularer Schalter auf Oberflächen (Collaborative Research Centres)
As Participating Person
- Current projects
  - FAIRmat – FAIR Data Infrastructure for Condensed-Matter Physics and the Chemical Physics of Solids (NFDI technical and methodological consortia)
- Completed projects
  - Hands-On Workshop: Density functional theory and beyond - concepts and applications (Research Grants)
As Co-Investigator
- Completed projects
  - Theoretical Investigation of Photo-Electro-Catalysis Beyond Proton-Coupled Electron Transfer (Research Grants)

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