Project Details

Professor Dr. Thomas Frauenheim

Address Constructor University
School of Science
Profesur für Computational Materials Science
Campus Ring 1
28759 Bremen

Projects

As Applicant
- Current projects
  - Intermolecular conical intersections: Steering coherent energy transport in functional organic nanostructures (Research Grants)
- Completed projects
  - Struktur und Eigenschaften von Siliziumclustern, Si-basierten Nanostrukturen und funktionalisierten SiO-Systemen (Priority Programmes)
  - Dichtefunktionaluntersuchungen zur Defektbildung und Oxidation in/von Siliziumkarbid (Research Grants)
  - Theorie der Strukturbildung und Struktur-Eigenschafts-Korrelationen von amorphen Si-B-C-N-Precursor-Keramiken (Priority Programmes)
  - Atomistische Untersuchungen zu Stabilität und Eigenschaften von Defekten in Galliumnitrid sowie zur Optimierung von kubischen Gruppe III-Nitrid-Übergittern für optoelektronische Bauelemente (Priority Programmes)
  - Molekulare Grundlagen der Wechselwirkungen von Retinoiden mit ihrer biologisch-physiologischen Umgebung (Research Grants)
  - Excited state dynamics in the early stages of the bR and Rh photocycle (Research Units)
  - Excited state dynamics in the early stages of the bR and Rh photocycle (Research Units)
  - Molecular Mechanisms of Retinal Protein Action: Coordination Project (Research Units)
  - Entwicklung von Multiskalenmethoden für die Simulation von Polymer/Flüssig-Feststoff-Hybridgrenzflächen (Priority Programmes)
  - Atomic Structure, electronic, optical and electrical properties of freestanding, passivated, and functionalized semiconductor nanowires (Priority Programmes)
  - Molekulares Design von Nanohybridmembranen für Brennstoffzell-Anwendungen (Priority Programmes)
  - BITT - Bremen Initiative on Time-dependent Transport: Atomistic approaches towards photo-induced quantum transport dynamics across single molecules (Priority Programmes)
  - Coordination action in the Priority Program 1243 (Priority Programmes)
  - Multi-scale approach for prediction of electrical properties of carbon nanotube reinforced polymers (Research Grants)
  - Time-dependent description of charge transport in molecular wires: bottom-up-approach (Research Grants)
  - Theoretical investigations of surface modifications and doping of semiconductor nanowire structures (Research Units)
  - Charge transport modelling in silicon ultra-scaled devices with native oxide (SINOXI) (Research Grants)
  - Defect calculations in Ga-based semiconductors using optimal hybrid functionals (Research Grants)
  - Atomistic Design of Thermal and Electrical Transport in Materials with Dislocations: From High Power Electronics to Thermoelectrics (Research Grants)
As Leader
- Completed projects
  - Rechencluster (Major Research Instrumentation)
  - Rechencluster für wissenschaftliche Berechnungen (Major Research Instrumentation)
As Spokesperson
- Completed projects
  - FOR 490: Molecular Mechanisms of Retinal Protein Action: A Combination of Theoretical Approaches (Research Units)
  - SPP 1243: Quantum Transport at the Molecular Scale (Priority Programmes)
  - GRK 2247: Quantum Mechanical Materials Modelling - QM³ (Research Training Groups)
As Participating Researcher
- Completed projects
  - GRK 693: Scientific Computation: Application-Oriented Development of Models and Algorithms (Research Training Groups)
As Project Head
- Completed projects
  - Adaptive parallele Algorithmen zur Geometrieoptimierung komplexer Cluster und Moleküle (Collaborative Research Centres)
As Participating Person
- Completed projects
  - Synthese, Struktur und Eigenschaften von fluorhaltigem tetraedrisch gebundenen amorphen Kohlenstoff (Research Grants)
  - Simulation of organic semi-conductors with density-functional theory and tight-binding methods (Research Grants)
  - DFTB QM/MM calculations of retinal protein excited states (Research Units)
  - QM/MM calculations of retinal protein excited states: Investigating the mechanisms of color tuning (Research Units)
As Ehemaliger Antragsteller
- Current projects
  - Towards temperature dependent exciton properties in titania using properly screened density functional approximations (Research Grants) to 10/2022
  - Toward Computational Design of Photocatalysts for deNOx Reaction through High-dimensional Reaction Potential Surface (Research Grants) to 9/2023
As Co-Investigator
- Completed projects
  - In-situ studies of 3D microstructure evolution and spectroscopic imaging during processing and manufacturing of advanced materials (Major Instrumentation Initiatives)

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Professor Dr. Thomas Frauenheim

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Servicenavigation

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Professor Dr. Thomas Frauenheim

Additional Information

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