Dr. Jörg Megow Universität Potsdam Institute of Chemistry Karl-Liebknecht-Str. 24/25, Haus 25 D-14476 Potsdam-Golm Germany Tel.: +49 (0)331-977-5195 email: megowuni-potsdam.de

Research Topics

• Natural and artificial light harvesting complexes

• Mixed quantum classical methodologies

• Molecular dynamics simulations

• Excitation energy shifts due to dispersion

• Computation of linear and nonlinear optical spectra

Curriculum Vitae

Scientific career

Professional activities

• Project leader of DFG project "Transfer processes in the system silicon-phthalocyanine/tetrasulfonated porphyrin on titaniumdioxide - Theoretical description of a novel dye-sensitized solar cell" (since 02/2014)
• Project leader of HLRN project (computing time on supercomputer) "Strukturaufklärung doppelwandiger tubularer Farbstoffaggregate" (since 07/2015)
• Organizer of 621st WE-Heraeus-Seminar "From Photosynthesis to Photovoltaics: Theoretical approaches for modelling supramolecular complexes and molecular crystals" (with Tobias Kramer, 26/07/2016-29/07/2016)
• Member of WG3 of COST action MOLIM (since 10/2016)

Scientific visits

• Research Fellowship at JKU Linz with Prof. Dr. Thomas Renger (02/2015 - 04/2015)

Publications

2017

1. P.-A. Plötz, J. Megow, T. Niehaus, and O. Kühn
   Spectral Densities for Frenkel Exciton Dynamics in Molecular Crystals: A TD-DFTB Approach
   J. Chem. Phys. (accepted)

2016

1. J. Megow
   Computing dispersive, polarizable and electrostatic site-energy shifts in supramolecular systems: PTCDI crystal
   J. Chem. Phys. 145, 094109 (2016)

2. C. Friedl, Th. Renger, H. v. Berlepsch, K. Ludwig, M. Schmidt am Busch, and J. Megow
   Structure Prediction of J-Aggregates from Cryo-TEM, Molecular Mechanics and Theory of Optical Spectra
   J. Phys. Chem. C 120 (34), 19416 (2016)

3. A. Kulesza, E. Titov, S. Daly, R. Włodarczyk, J. Megow, P. Saalfrank, C.M. Choi, L. MacAleese, R. Antoine, and P. Dugourd
   Excited States of Xanthene-Analogues: Photofragmentation and Calculations by CC2 and TDDFT
   ChemPhysChem 17 (19), 3129 (2016)

4. J. Megow, A. Kulesza, and V. May
   A mixed quantum-classical description of pheophorbide a linear absorption spectra: quantum-corrections of the Qy- and Qx-absorption vibrational satellites
   Chem. Phys. Lett. 643, 61 (2016).

2015

1. J. Megow, Th. Körzdörfer, Th. Renger, M. Sparenberg, S. Blumstengel, and V. May
   Reply to Comment on Calculating Optical Absorption Spectra of Thin Polycrystalline Organic Films: Structural Disorder and Site-Dependent Van Der Waals Interaction
   J. Phys. Chem. C 119, 18818 (2015).

2. J. Megow
   How van der Waals interaction influences the absorption spectra of pheophorbide a complexes: a mixed quantum-classical study
   Chemphyschem 16(14), 3101-7 (2015)

3. J. Megow, Th. Körzdörfer, Th. Renger, M. Sparenberg, S. Blumstengel, F. Henneberger, and V. May
   Calculating Optical Absorption Spectra of Thin Polycrystalline Organic Films:
   Structural Disorder and Site-Dependent van der Waals Interaction
   J. Phys. Chem. C 119, 5747 (2015).

4. J. Megow, M. Röhr, M. Schmidt am Busch, Th. Renger, R. Mitrić, S. Kirstein, J. Rabe, and V. May:
   Site-Dependence of van der Waals Interaction Explains Exciton Spectra of Double-Walled
   Tubular J-Aggregates
   Phys. Chem. Chem. Phys. 17, 6741 (2015).

5. T. Plehn, D. Ziemann, J. Megow and V. May:
   Frenkel to Wannier-Mott Exciton Transition: Theory of FRET-Rates for
   a Tubular Dye Aggregate Coupled to a CdSe Nanocrystal
   J. Chem. Phys. B 119, 7467 (2015)

2014

1. T. Plehn, J. Megow and V. May:
   Concerted Charge and Energy Transfer Processes in a Highly Flexible
   Fullerene-Dye System: A Mixed Quantum-Classical Study
   Phys. Chem. Chem. Phys. 16, 12949 (2014)

2. J. Megow, T. Renger, and V. May:
   Mixed Quantum-Classical Description of Excitation Energy
   Transfer in Supramolecular Complexes: Screening of the Excitonic Coupling
   ChemPhysChem 15, 478 (2014)

3. J. Megow and V. May:
   Plasmon Enhanced Molecular Absorption: A Mixed Quantum-Classical
   Description of Supramolecular Complexes Attached to a Metal Nanoparticle
   Chem. Phys. 428, 6 (2014).

2013

1. J. Megow, T. Plehn, R. Steffen, B. Röder and V. May:
   Photoinduced Excitation Energy Transfer in Hexapyropheophorbide a
   Chem. Phys. Lett. 585, 178 (2013)

2. J. Megow, Dissertation:
   Excitation Energy Transfer in Pheophorbide a Complexes: A Mixed Quantum-Classical Description.
   

2012

1. V. May, J. Megow, and Y. Zelinskyy:
   Excitation Energy Transfer in Molecular Complexes:
   Transport Processes, Optical Properties and Effects of Nearby Placed Metal Nano-Particles
   Proc. SPIE 8424, 842403-1 (2012).

2. J. Megow, Y. Zelinskyy, B. Röder, A. Kulesza, D. Mitrić, and V. May
   Transient Absorption Spectra of Excitation Energy Transfer in Supramolecular Complexes:
   A Mixed Quantum-Classical Description of Pheophorbide-a Systems
   Chem. Phys. Lett. 522, 103 (2012)

2011

1. J. Megow, B. Röder, A. Kulesza, V. Bonačić-Koutecký, and V. May:
   A Mixed Quantum-Classical Description of Excitation Energy Transfer
   in Supramolecular Complexes: Förster Theory and Beyond
   Theodor Förster commemorative issue, ChemPhysChem, 12, 645 (2011).

2010

1. J. Megow, A. Kulesza, Z.-W. Qu, Th. Ronneberg, V. Bonačić-Koutecký, and V. May:
   A Harmonic Approximation of Intramolecular Vibrations in a Mixed
   Quantum-Classical Methodology: Linear Absorbance of a
   Dissolved Pheophorbid-a Molecule as an Example
   Chem. Phys. 377, 10 (2010).