Go directly to content
Go directly to font size and contrast
Servicenavigation
DFG Homepage
Disclaimer / Copyright
|
Help
|
Data Monitor
Deutsch
Hauptnavigation
Search
Catalogue
People Index
Location Index
About GEPRIS
Project Details
Back
Institution
Fritz-Haber-Institut der Max-Planck-Gesellschaft (FHI)
Abteilung Theorie
Address
Faradayweg 4 - 6
14195 Berlin
Deutschland
GERiT
This institution in GERiT
14195 Berlin
Projects
Emmy Noether Independent Junior Research Groups
Completed projects
Entwicklung theoretischer Methoden zur Beschreibung mehrdimensionaler Kurzzeitspektroskopie und deren Anwendung zum Entwurf neuer Pulssequenzen für die schwingungsspektroskopische Untersuchung von Biopolymeren
(Applicant
Scheurer, Christoph
)
Research Fellowships
Completed projects
Adsorbatphasen und Reaktionskinetik auf oxidierten Katalysatoroberflächen
(Applicant
Reuter, Karsten
)
Phase Stability and Thermal Transport in Yttria-Stabilized Zirconia: A Challenge for First-Principles Theory
(Applicant
Carbogno, Christian
)
Research Units
Completed projects
First-Principles Statistical Mechanics Studies of Doped Silicon Clusters: From Isolated Cages to Clusters in Complex Environments
(Applicant
Reuter, Karsten
)
The molecular basis of VWF mechano-sensoring: Structure and interactions of VWF domains as the basis for regulation and aggregation
(Applicant
Gräter, Frauke
)
Research Grants
Current projects
Atomistic-Continuum Coupling for Heterogeneous Catalysis by a Reduced Basis Approach and Multilevel On-the-fly Sparse Grid Interpolation
(Applicants
Matera, Sebastian
;
Merdon, Christian
)
Completed projects
Ab initio description of non-adiabatic effects in dissociative adsorption at surfaces
(Applicant
Reuter, Karsten
)
Ab initio description of the isomerization dynamics of surface-adsorbed molecular switches
(Applicant
Reuter, Karsten
)
Ab initio molecular dynamics approach to adsorption processes of complex molecules
(Applicants
Groß, Axel
;
Reuter, Karsten
)
DFTB-based global optimization approach to large scale interfacial systems
(Applicant
Panosetti, Chiara
)
Facilitating the Rational Design of Active Sites for the Oxygen Evolution Reaction on 3d Transition Metal Oxide Catalysts
(Applicant
Reuter, Karsten
)
First-principles approach to in-situ model catalyst studies
(Applicant
Reuter, Karsten
)
First-principles kinetic modeling for solar hydrogen production
(Applicant
Reuter, Karsten
)
Hands-On Workshop: Density functional theory and beyond - concepts and applications
(Applicant
Blum, Volker
)
International Collaboration in Chemistry: First Principles Multi-Lattice Kinetic Monte Carlo Simulations of NOx Storage Reduction Catalysts
(Applicant
Reuter, Karsten
)
Molecular and multiscale modelling of the dissolution of active pharmaceutical ingredients
(Applicants
Briesen, Heiko
;
Reuter, Karsten
)
Multi-scale modeling of electrochemical interfaces: New methods and applications to RuO2 surfaces
(Applicants
Opalka, Daniel
;
Reuter, Karsten
)
Scaling-relation based kinetic Monte Carlo modeling of higher alcohol synthesis
(Applicant
Reuter, Karsten
)
Theoretical Investigation of Photo-Electro-Catalysis Beyond Proton-Coupled Electron Transfer
(Applicant
Oberhofer, Harald
)
Theoretical Investigation of Spin-Dependent Transport from Adsorbates to Magnetic Substrates
(Applicant
Reuter, Karsten
)
Transition Metal Carbides for Electrochemical CO2 Reduction
(Applicant
Reuter, Karsten
)
Priority Programmes
Current projects
High Throughput Enabled Optimization of Machine Learning for Property Targeted Spiropyran Design
(Applicants
Hecht, Stefan
;
Reuter, Karsten
)
Rare-earth nitride based heterostructures for integrated thermoelectrics
(Applicants
Dinh, Ph.D., Van Duc
;
Koblmüller, Gregor
;
Wagner, Markus R.
)
Completed projects
Ab initio-Beschreibung der Reaktionskinetik an Realstrukturen der heterogenen Katalyse
(Applicant
Reuter, Karsten
)
Lead-free Double Perovskite Materials for Photovoltaic Applications
(Applicants
Bein, Thomas
;
Dyakonov, Vladimir
;
Reuter, Karsten
)
Redox-Active Metal-Organic Frameworks: Novel Entatic State Catalysts?
(Applicants
Reuter, Karsten
;
Volkmer, Dirk
)
Structural Evolution of a High-Temperature Oxygen Evolution Catalyst under Transient Working Conditions
(Applicants
Eichel, Rüdiger-A.
;
Lunkenbein, Thomas
;
Scheurer, Christoph
)
Transient High-Temperature Oxygen Evolution Reaction
(Applicants
Eichel, Rüdiger-A.
;
Reuter, Karsten
;
Schlögl, Robert
)
Collaborative Research Centres
Completed projects
Ab-initio-Clustermodelle zur Struktur, Reaktivität und Spektroskopie an komplexen Vanadium- und Molybdänoxidoberflächen
(Project Head
Hermann, Klaus
)
Ab initio Untersuchungen zur Funktionalität molekularer Schalter auf Oberflächen
(Project Heads
Reuter, Karsten
;
Scheffler, Matthias
)
First-principles characterization of hybrid inorganic/organic interfaces
(Project Heads
Rinke, Patrick
;
Scheffler, Matthias
)
Van-der-Waals effects on dynamics and THz spectroscopy of HIOS
(Project Heads
Scheffler, Matthias
;
Tkatchenko, Alexandre
)
Clusters of Excellence (ExStra)
Current projects
EXC 2089: e-conversion
(Spokespersons
Bein, Thomas
;
Heiz, Ulrich
;
Reuter, Karsten
)
NFDI technical and methodological consortia
Current projects
FAIRmat – FAIR Data Infrastructure for Condensed-Matter Physics and the Chemical Physics of Solids
(Spokesperson
Draxl, Claudia
)
NFDI4Cat – NFDI for Catalysis-Related Sciences
(Spokesperson
Förster, Andreas
)
NFDI4DS - NFDI for Data Science and Artificial Intelligence
(Spokesperson
Schimmler, Sonja
)
Additional Information
© 2025
DFG
Disclaimer / Copyright
/
Privacy Policy
Textvergrößerung und Kontrastanpassung
