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Institution

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Ruhr-Universität Bochum
Fakultät für Chemie und Biochemie
Lehrstuhl für Theoretische Chemie II

Address Universitätsstraße 150
44801 Bochum
Deutschland

GERiT This institution in GERiT

44801 Bochum

Projects

Emmy Noether Independent Junior Research Groups
- Completed projects
  - Enantioselective Processes at Surfaces Studied by High-Dimensional Neural Network Potentials
    (Applicant Behler, Jörg )
Research Grants
- Current projects
  - Atomistic Understanding of CO2 Reduction using Molecular Catalysts
    (Applicant Schienbein, Philipp )
- Completed projects
Heisenberg Fellowships
- Completed projects
  - Molecular Dynamics Simulations of Complex Systems Using High-Dimensional Neural Network Potentials
    (Applicant Behler, Jörg )
Heisenberg Professorships
- Completed projects
  - Molecular Dynamics Simulations of Complex Systems Using High-Dimensional Neural Networks
    (Applicant Behler, Jörg )
Research Fellowships
- Completed projects
  - Ab initio Metadynamik-Untersuchung von Phasendiagrammen kristalliner Festkörper unter extremen Bedingungen
    (Applicant Behler, Jörg )
Collaborative Research Centres
- Current projects
  - Atomic Scale Mechanisms of the Electrocatalytic Oxygen Evolution Reaction
    (Project Heads Behler, Jörg ; Jooss, Christian ; Techert, Simone )
- Completed projects
  - From electron transfer to chemical energy storage: first-principles studies of correlated processes
    (Project Heads Behler, Jörg ; Blöchl, Peter E. ; Mata, Ricardo )
  - Structural and Dynamical Properties of Metal Clusters at Oxide Surfaces
    (Project Head Behler, Jörg )
WBP Fellowship
- Completed projects
  - Solvation and Charge Transfer Processes at Semiconductor/Liquid Water Interfaces
    (Applicant Schienbein, Philipp )
  - Understanding the Structural Dynamics of Polarons in Transition Metal Oxide Semiconductors by Vibrational Spectroscopy and Charge-Carrier Mobilities
    (Applicant Schienbein, Philipp )
CRC/Transregios
- Current projects
  - Molecular Dynamics Simulations of Oxidation Catalysis at Complex Interfaces
    (Project Head Behler, Jörg )
Major Research Instrumentation
- Completed projects
  - Rechencluster mit 106 Multicore Knoten und 2 redundanten Fileservern
Priority Programmes
- Current projects
  - Fourth-Generation Neural Network Potentials for Molecular Chemistry
    (Applicant Behler, Jörg )
- Completed projects
  - Towards self-healing metals by employing optimally-dispersed Ti-Ni shape memory nano-particles
    (Applicants Grabowski, Blazej ; Springer, Hauke )
Clusters of Excellence
- Completed projects
  - EXC 1069: RESOLV (Ruhr Explores Solvation) - Understanding and Design of Solvent Controlled Processes
    (Spokesperson Havenith-Newen, Martina )
Clusters of Excellence (ExStra)
- Current projects
  - EXC 2033: RESOLV (Ruhr Explores Solvation) - Understanding and Design of Solvent Controlled Processes
    (Spokespersons Däschlein-Gessner, Viktoria H. ; Havenith-Newen, Martina ; Sadowski, Gabriele )

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