List of publications
2014
Impact of Mesoscale Order on Open-Circuit Voltage in Organic Solar Cells
C. Poelking, M. Tietze, C. Elschner, S. Olthof, D. Hertel, B. Baumeier, F. Würthner, K. Meerholz, K. Leo, and D. Andrienko
Nat. Mater. in print (2014), [doi]
Electronic excitations in push-pull oligomers and their complexes with fullerene from many-body Green's functions theory with polarizable embedding
B. Baumeier, M. Rohlfing, D. Andrienko
J. Chem. Theory Comput. 10, 3104 (2014), [doi]
Parametrization of extended Gaussian disorder models from microscopic charge transport simulations
P. Kordt, O. Stenzel, B. Baumeier, V. Schmidt, D. Andrienko
J. Chem. Theory Comput. 10, 2508 (2014), [doi]
A general framework for consistent estimation of charge transport properties via random walks in random environments
O. Stenzel, C. Hirsch, T, Brereton, B. Baumeier, D. Andrienko, D. Kroese, V. Schmidt
Multiscale Model. Simul., 12 , 1108 (2014), [doi] [pdf]
Two Channels of Charge Generation in Perylene Monoimide Solid-State Dye-Sensitized Solar Cells
M. Meister, I. Howard, B. Baumeier, H. Wonneberger, N. Pschirer, R. Sens, I. Bruder, C. Li, K. Müllen, D. Andrienko, F. Laquai
Adv. Energy Mater. 4, 1300640 (2014), [doi]
Efficient simulation of Markov Chains using Segmentation
T. Brereton, O. Stenzel, B. Baumeier, D. Andrienko, V. Schmidt, D. Kroese
Methodol. Comput. Appl. Probab. 16, 465 (2014), [doi]
2013
Observing Charge Dynamics in Surface Reactions by Time-Resolved Stark Effects
M. Meister, B. Baumeier, N. Pschirer, R. Sens, I. Bruder, F. Laquai, D. Andrienko, I. Howard
J. Phys. Chem. C 117, 9171 (2013), [doi]
2012
Design rules for charge-transport efficient host materials for phosphorescent OLEDs
F. May, M. Al-Helwi, B. Baumeier, W. Kowalsky, E. Fuchs, C. Lennartz, D. Andrienko
J. Am. Chem. Soc. 134, 13818-13822 (2012), [doi]
Stochastic modeling of molecular charge transport networks
B. Baumeier, O. Stenzel, C. Poelking, D. Andrienko, V. Schmidt
Phys. Rev. B 86, 184202 (2012), [doi]
Frenkel and charge-transfer excitations in donor-acceptor complexes from many-body Green’s functions theory
B. Baumeier, D. Andrienko, M. Rohlfing
J. Chem. Theory Comput. 8, 2790-2795 (2012), [doi]
Efficient simulation of charge transport in deep-trap media
T. Brereton, D. P. Kroese, O. Stenzel, V. Schmidt, B. Baumeier
Proceedings of the 2012 Winter Simulation Conference (Berlin, Germany), 230 (2012), [pdf]
Can lattice models predict density of states of amorphous organic semiconductors?
F. May, B. Baumeier, C. Lennartz, D. Andrienko
Phys. Rev. Lett. 109, 136401 (2012), [doi]
Excited states of dicyanovinyl-substituted oligothiophenes from many-body Green's functions theory
B. Baumeier, D. Andrienko, Y. Ma, M. Rohlfing
J. Chem. Theory Comput. 8, 997-1002 (2012), [doi]
Challenges for in silico design of organic semiconductors
B. Baumeier, F. May, C. Lennartz, D. Andrienko
J. Mater. Chem. 22, 10971-10976 (2012), [doi]
Comparative study of microscopic charge dynamics in crystalline acceptor-substituted oligothiophenes
M. Schrader, R. Fitzner, M. Hein, C. Elschner, B. Baumeier, M. Riede, K. Leo, P. Baeuerle, D. Andrienko
J. Am. Chem. Soc. 134, 6052-6056 (2012), [doi]
2011
Toward quantitative structure-property relationships for charge transfer rates of polycyclic aromatic hydrocarbons
M. Misra, D. Andrienko, B. Baumeier, J.-L. Faulon, O. A. von Lilienfeld
J. Chem. Theory Comput. 7, 2549-2555 (2011), [doi]
Microscopic simulations of charge transport in disordered organic semiconductors
V. Ruehle, A. Lukyanov, F. May, M. Schrader, T. Vehoff, J. Kirkpatrick, B. Baumeier, D. Andrienko
J. Chem. Theory Comput. 7, 3335-3345 (2011), [doi]
Scattering of surface-plasmon polaritons by a localized dielectric surface defect studied using an effective boundary condition
B. Baumeier, F. Huerkamp, T. A. Leskova, A. A. Maradudin
Phys. Rev. A 84, 013810 (2011). [doi]
The Goos-Hänchen effect for surface plasmon polaritons
F. Huerkamp, T. A. Leskova, A. A. Maradudin, B. Baumeier
Opt. Express 19, 15483 (2011), [doi]
2010
Density-functional based determination of intermolecular charge transfer properties for large-scale morphologies, B. Baumeier, J. Kirkpatrick, D. Andrienko
Phys. Chem. Chem. Phys. 12, 11103-11113 (2010), [doi]
Charge transport in organic crystals: role of disorder and topological connectivity
T. Vehoff, B. Baumeier, A. Troisi, D. Andrienko
J. Am. Chem. Soc. 132, 11702-11708 (2010), [doi]
Charge transport in columnar mesophases of carbazole macrocycles
T. Vehoff, B. Baumeier, D. Andrienko
J. Chem. Phys. 133, 134901 (2010), [doi]
2009
Cloaking from Surface Plasmon Polaritons by a Circular Array of Point Scatterers
B. Baumeier, T. A. Leskova, A. A. Maradudin
Phys. Rev. Lett. 103, 246803 (2009), [doi]
Self-interaction corrections to density-functional theory for solids, surfaces, and nanotubes
B. Baumeier
PhD thesis, Westfälische Wilhelms-Universität Münster (2009), [pdf]
2008
First-principles investigation of an epitaxial silicon oxynitride layer on a 6H-SiC(0001) surface
P. Krüger, B. Baumeier, J. Pollmann
Phys. Rev. B 77, 085329 (2008), [doi]
Electronic structure of alkali-metal fluorides, oxides and nitrides: Density-functional calculations including self-interaction corrections
B. Baumeier, P. Krüger, J. Pollmann, G. V. Vajenine
Phys. Rev. B 78, 125111 (2008), [doi]
First-principles investigation of the atomic and electronic structure of the 4H-SiC(1-102)-c(2x2) surface
B. Baumeier, P. Krüger, J. Pollmann
Phys. Rev. B 78, 245318 (2008), [doi]
2007
Atomic and electronic structure of BeO and the BeO(10-10) surface: An ab initio investigation
B. Baumeier, P. Krüger, J. Pollmann
Phys. Rev. B 75, 045323 (2007), [doi]
Bulk and surface electronic structures of alkaline-earth metal oxides: Bound surface and image-potential states from first principles
B. Baumeier, P. Krüger, J. Pollmann
Phys. Rev. B 76, 205404 (2007), [doi]
Structural, elastic, and electronic properties of SiC, BN, and BeO nanotubes
B. Baumeier, P. Krüger, J. Pollmann
Phys. Rev. B 76, 085407 (2007), [doi]
2006
Transmission of light through a thin metal film with periodically and randomly corrugated surfaces
B. Baumeier, T. A. Leskova, A. A. Maradudin
J.Opt. A: Pure Appl. Opt. 8, S191 (2006), [doi]
Self-interaction-corrected pseudopotentials for silicon carbide
B. Baumeier, P. Krüger, J. Pollmann
Phys. Rev. B 73, 195205 (2006), [doi]