Microscopic simulations of charge transport in disordered organic semiconductors V Rühle, A Lukyanov, F May, M Schrader, T Vehoff, J Kirkpatrick, ...
Journal of chemical theory and computation 7 (10), 3335-3345, 2011
455 2011 Structural, elastic, and electronic properties of SiC, BN, and BeO nanotubes B Baumeier, P Krüger, J Pollmann
Physical Review B—Condensed Matter and Materials Physics 76 (8), 085407, 2007
291 2007 Density-functional based determination of intermolecular charge transfer properties for large-scale morphologies B Baumeier, J Kirkpatrick, D Andrienko
Physical Chemistry Chemical Physics 12 (36), 11103-11113, 2010
289 2010 Impact of mesoscale order on open-circuit voltage in organic solar cells C Poelking, M Tietze, C Elschner, S Olthof, D Hertel, B Baumeier, ...
Nature materials 14 (4), 434-439, 2015
241 2015 Charge transport in organic crystals: role of disorder and topological connectivity T Vehoff, B Baumeier, A Troisi, D Andrienko
Journal of the American Chemical Society 132 (33), 11702-11708, 2010
201 2010 Frenkel and charge-transfer excitations in donor–acceptor complexes from many-body green’s functions theory B Baumeier, D Andrienko, M Rohlfing
Journal of Chemical Theory and Computation 8 (8), 2790-2795, 2012
123 2012 Excited states of dicyanovinyl-substituted oligothiophenes from many-body Green's functions theory B Baumeier, D Andrienko, Y Ma, M Rohlfing
Journal of Chemical Theory and Computation 8, 2790, 2012
115 2012 Design rules for charge-transport efficient host materials for phosphorescent organic light-emitting diodes F May, M Al-Helwi, B Baumeier, W Kowalsky, E Fuchs, C Lennartz, ...
Journal of the American Chemical Society 134 (33), 13818-13822, 2012
99 2012 Comparative study of microscopic charge dynamics in crystalline acceptor-substituted oligothiophenes M Schrader, R Fitzner, M Hein, C Elschner, B Baumeier, K Leo, M Riede, ...
Journal of the American Chemical Society 134 (13), 6052-6056, 2012
98 2012 Challenges for in silico design of organic semiconductors B Baumeier, M Falk, C Lennartz, D Andrienko
Journal of Materials Chemistry 22, 10971, 2012
80 2012 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
Journal of Chemical Theory and Computation 10 (8), 3104-3110, 2014
75 2014 Stochastic modeling of molecular charge transport networks B Baumeier, O Stenzel, C Poelking, D Andrienko, V Schmidt
Physical Review B—Condensed Matter and Materials Physics 86 (18), 184202, 2012
73 2012 Can lattice models predict the density of states of amorphous organic semiconductors? F May, B Baumeier, C Lennartz, D Andrienko
Physical Review Letters 109 (13), 136401, 2012
68 2012 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
Physical Review B—Condensed Matter and Materials Physics 76 (20), 205404, 2007
56 2007 Cloaking from surface plasmon polaritons by a circular array of point scatterers B Baumeier, TA Leskova, AA Maradudin
Physical review letters 103 (24), 246803, 2009
55 2009 Electronic excitations in complex molecular environments: Many-body green’s functions theory in VOTCA-XTP J Wehner, L Brombacher, J Brown, C Junghans, O Çaylak, Y Khalak, ...
Journal of chemical theory and computation 14 (12), 6253-6268, 2018
48 2018 Atomic and electronic structure of ab initio investigation B Baumeier, P Krüger, J Pollmann
Physical Review B—Condensed Matter and Materials Physics 75 (4), 045323, 2007
46 2007 Self-interaction-corrected pseudopotentials for silicon carbide B Baumeier, P Krüger, J Pollmann
Physical Review B—Condensed Matter and Materials Physics 73 (19), 195205, 2006
46 2006 Toward quantitative structure–property relationships for charge transfer rates of polycyclic aromatic hydrocarbons M Misra, D Andrienko, B Baumeier, JL Faulon, OA von Lilienfeld
Journal of Chemical Theory and Computation 7 (8), 2549-2555, 2011
41 2011 Evolutionary approach to constructing a deep feedforward neural network for prediction of electronic coupling elements in molecular materials O Caylak, A Yaman, B Baumeier
Journal of chemical theory and computation 15 (3), 1777-1784, 2019
39 2019 
Denis AndrienkoMax Planck Institute for Polymer ResearchEmail verificata su mpip-mainz.mpg.de