Project Details

Professor Dr. Jörg Behler

Address Ruhr-Universität Bochum
Fakultät für Chemie und Biochemie
Lehrstuhl für Theoretische Chemie II
Universitätsstraße 150
44801 Bochum

Projects

As Applicant
- Current projects
  - Fourth-Generation Neural Network Potentials for Molecular Chemistry (Priority Programmes)
- Completed projects
  - Ab initio Metadynamik-Untersuchung von Phasendiagrammen kristalliner Festkörper unter extremen Bedingungen (Research Fellowships)
  - Enantioselective Processes at Surfaces Studied by High-Dimensional Neural Network Potentials (Independent Junior Research Groups)
  - Molecular Dynamics Studies of the Water-Copper Interface Using Neural Network Potentials (Research Grants)
  - Molecular Dynamics Simulations of Complex Systems Using High-Dimensional Neural Network Potentials (Heisenberg Fellowships)
  - Theoretical Investigation of the Structural Properties of Copper Clusters at Zinc Oxide (Research Grants)
  - Molecular Dynamics Simulations of Complex Systems Using High-Dimensional Neural Networks (Heisenberg Professorships)
  - Development of a Neural Network Potential for Metal-Organic Frameworks (Research Grants)
  - Development of a generally applicable machine learning potential with accurate long-range electrostatic interactions (Research Grants)
As Leader
- Completed projects
  - Rechencluster mit 106 Multicore Knoten und 2 redundanten Fileservern (Major Research Instrumentation)
As Participating Researcher
- Completed projects
  - EXC 1069: RESOLV (Ruhr Explores Solvation) - Understanding and Design of Solvent Controlled Processes (Clusters of Excellence)
As Project Head
- Current projects
  - From electron transfer to chemical energy storage: first-principles studies of correlated processes (Collaborative Research Centres)
  - Molecular Dynamics Simulations of Oxidation Catalysis at Complex Interfaces (CRC/Transregios)
  - Atomic Scale Mechanisms of the Electrocatalytic Oxygen Evolution Reaction (Collaborative Research Centres)
- Completed projects
  - Structural and Dynamical Properties of Metal Clusters at Oxide Surfaces (Collaborative Research Centres)
As Participating Person
- Completed projects
  - Towards self-healing metals by employing optimally-dispersed Ti-Ni shape memory nano-particles (Priority Programmes)

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Professor Dr. Jörg Behler

Additional Information

Servicenavigation

Hauptnavigation

Professor Dr. Jörg Behler

Additional Information

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