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Institution
Karlsruher Institut für Technologie (KIT)
Institut für Physikalische Chemie
Abteilung für Theoretische Chemische Biologie
Address
Kaiserstraße 12
76131 Karlsruhe
Deutschland
GERiT
This institution in GERiT
76131 Karlsruhe
Projects
Research Units
Completed projects
Channelrhodopsin colour tuning
(Applicants
Elstner, Marcus
;
Hegemann, Peter
)
Computer Simulation of Conformation-Coupled Proton Transfer in Bacteriorhodopsin
(Applicant
Suhai, Sandor
)
Computer simulation of the proton transfer pathways at the extracellular side of bacteriorhodopsin and calculation of IR spectra of the photocycle intermediates
(Applicant
Suhai, Sandor
)
Development of Light-Gated Ion Channels With Red-Shifted Action Spectra
(Applicants
Elstner, Marcus
;
Trauner, Dirk
)
DFTB QM/MM calculations of retinal protein excited states
(Applicant
Elstner, Marcus
)
Excited state dynamics in the early stages of the bR and Rh photocycle
(Applicant
Frauenheim, Thomas
)
Excited state dynamics in the early stages of the bR and Rh photocycle
(Applicant
Frauenheim, Thomas
)
QM/MM calculations of retinal protein excited states: Investigating the mechanisms of color tuning
(Applicant
Elstner, Marcus
)
Priority Programmes
Current projects
Machine learning of hierarchical ultrafast molecular forcefields (HUMF)
(Applicant
Wenzel, Wolfgang
)
Completed projects
Engineering of Chrimson for Subcellular Optogenetic application
(Applicants
Elstner, Marcus
;
Hegemann, Peter
;
Rost, Benjamin
)
Quantum Transport in DNA-based molecular wires: Towards a realistic description of charge transport and dynamics in complex molecular systems
(Applicants
Cuniberti, Gianaurelio
;
Elstner, Marcus
)
Research Fellowships
Completed projects
Direct Observation of Fast Electron Transfer Reactions in DNA Base Pairs via QM/MM Simulations
(Applicant
Steinbrecher, Thomas
)
Research Grants
Completed projects
Der Photochromismus des Channelrhodopsin-1 aus Volvox carteri (VCHR)
(Applicants
Elstner, Marcus
;
Hegemann, Peter
)
Efficient algorithms for the simulation of the non-adiabatic exciton transfer dynamics in light-harvesting systems
(Applicants
Elstner, Marcus
;
Kleinekathöfer, Ulrich
)
Entwicklung und Evaluation von effizienten und genauen theoretischen Methoden zur Berechnung Raman Spektren von Kofaktoren in Proteinen
(Applicants
Elstner, Marcus
;
Mroginski, Ph.D., Maria Andrea
)
Time-dependent description of charge transport in molecular wires: bottom-up-approach
(Applicants
Elstner, Marcus
;
Frauenheim, Thomas
;
Kleinekathöfer, Ulrich
)
Transport across membranes via electrostatic 'charge zippers'
(Applicants
Elstner, Marcus
;
Ulrich, Anne
)
Collaborative Research Centres
Current projects
Multi-Scale Modeling of Energy and Charge Transfer in N-heteropolycycles
(Project Head
Elstner, Marcus
)
Research Training Groups
Current projects
GRK 2450: Tailored Scale-Bridging Approaches to Computational Nanoscience
(Spokesperson
Elstner, Marcus
)
Completed projects
GRK 2039: Molecular architectures for fluorescent cell imaging
(Spokesperson
Wagenknecht, Hans-Achim
)
Additional Information
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