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W. Wenzel
Research Unit Chair
wolfgang wenzelUwy9∂kit edu

KIT Campus North
Building 640


Picture of Pascal Friederich

Jun.-Prof. Dr. Pascal Friederich

Associated Group Leader
AI for Materials Sciences
Research Unit: Multiscale Materials Modelling and Virtual Design
pascal friederichNww3∂kit edu

Marie Skłodowska-Curie Fellow at Harvard University and University of Toronto

Further information: Aspuru-Guzik group

List of Publications

Concentration dependent energy levels shifts in donor-acceptor mixtures due to intermolecular electrostatic interaction.
Bag, S.; Friederich, P.; Kondov, I.; Wenzel, W.
2019. Scientific reports, 9 (1), Art. Nr.: 12424. doi:10.1038/s41598-019-48877-9
Disorder compensation controls doping efficiency in organic semiconductors.
Fediai, A.; Symalla, F.; Friederich, P.; Wenzel, W.
2019. Nature Communications, 10 (1), 4547. doi:10.1038/s41467-019-12526-6
Design rules for high mobility xanthene-based hole transport materials.
Tabor, D. P.; Chiykowski, V. A.; Friederich, P.; Cao, Y.; Dvorak, D. J.; Berlinguette, C. P.; Aspuru-Guzik, A.
2019. Chemical science, 10 (36), 8360–8366. doi:10.1039/c9sc01491h
Triplet exciton diffusion in metalorganic phosphorescent host-guest systems from first principles.
de Vries, X.; Friederich, P.; Wenzel, W.; Coehoorn, R.; Bobbert, P. A.
2019. Physical review / B, 99 (20), Art.Nr. 205201. doi:10.1103/PhysRevB.99.205201
Toward Design of Novel Materials for Organic Electronics [in press].
Friederich, P.; Fediai, A.; Kaiser, S.; Konrad, M.; Jung, N.; Wenzel, W.
2019. Advanced materials, Art Nr.: 1808256. doi:10.1002/adma.201808256
Host dependence of the electron affinity of molecular dopants.
Li, J.; Duchemin, I.; Roscioni, O. M.; Friederich, P.; Anderson, M.; Da Como, E.; Kociok-Köhn, G.; Wenzel, W.; Zannoni, C.; Beljonne, D.; Blase, X.; D’Avino, G.
2019. Materials Horizons, 6 (1), 107–114. doi:10.1039/c8mh00921j
Meltdown! Local Heating by Decaying Excited Host Positive Polarons Triggers Aggregation Quenching in Blue PhOLEDs.
Setzer, T.; Friederich, P.; Meded, V.; Wenzel, W.; Lennartz, C.; Dreuw, A.
2018. ChemPhysChem, 19 (21), 2961–2966. doi:10.1002/cphc.201800250
Enhanced etching of tin-doped indium oxide due to surface modification by hydrogen ion injection.
Li, H.; Karahashi, K.; Friederich, P.; Fink, K.; Fukasawa, M.; Hirata, A.; Nagahata, K.; Tatsumi, T.; Wenzel, W.; Hamaguchi, S.
2018. Japanese journal of applied physics, 57 (6), 06JC05. doi:10.7567/JJAP.57.06JC05
Machine learning of correlated dihedral potentials for atomistic molecular force fields.
Friederich, P.; Konrad, M.; Strunk, T.; Wenzel, W.
2018. Scientific reports, 8 (1), Article: 2559. doi:10.1038/s41598-018-21070-0
Full quantum treatment of charge dynamics in amorphous molecular semiconductors.
Vries, X. de; Friederich, P.; Wenzel, W.; Coehoorn, R.; Bobbert, P. A.
2018. Physical review / B, 97 (7), Art.Nr. 075203. doi:10.1103/PhysRevB.97.075203
Built-In Potentials Induced by Molecular Order in Amorphous Organic Thin Films.
Friederich, P.; Rodin, V.; Wrochem, F. von; Wenzel, W.
2018. ACS applied materials & interfaces, 10 (2), 1881–1887. doi:10.1021/acsami.7b11762
Molecular origin of the anisotropic dye orientation in emissive layers of organic light emitting diodes.
Friederich, P.; Coehoorn, R.; Wenzel, W.
2017. Chemistry of materials, 29 (21), 9528–9535. doi:10.1021/acs.chemmater.7b03742
Rational In Silico Design of an Organic Semiconductor with Improved Electron Mobility.
Friederich, P.; Gómez, V.; Sprau, C.; Meded, V.; Strunk, T.; Jenne, M.; Magri, A.; Symalla, F.; Colsmann, A.; Ruben, M.; Wenzel, W.
2017. Advanced materials, 1703505. doi:10.1002/adma.201703505
Effects of energy correlations and superexchange on charge transport and exciton formation in amorphous molecular semiconductors: An ab initio study.
Massé, A.; Friederich, P.; Symalla, F.; Liu, F.; Meded, V.; Coehoorn, R.; Wenzel, W.; Bobbert, P. A.
2017. Physical review / B, 95 (11), Art. Nr.: 115204. doi:10.1103/PhysRevB.95.115204
Effects of hydrogen ion irradiation on zinc oxide etching.
Li, H.; Karahashi, K.; Friederich, P.; Fink, K.; Fukasawa, M.; Hirata, A.; Nagahata, K.; Tatsumi, T.; Wenzel, W.; Hamaguchi, S.
2017. Journal of vacuum science & technology / A, 35 (5), Art.Nr. 05C303. doi:10.1116/1.4982715
p-Doping of polystyrene polymers with attached functional side-groups from solution.
Schneider, T.; Limberg, F.; Yao, K.; Armin, A.; Jürgensen, N.; Czolk, J.; Ebenhoch, B.; Friederich, P.; Wenzel, W.; Behrends, J.; Krüger, H.; Colsmann, A.
2017. Journal of materials chemistry / C, 5 (3), 770–776. doi:10.1039/c6tc02346k
Sub-50 nm Channel Vertical Field-Effect Transistors using Conventional Ink-Jet Printing.
Baby, T. T.; Rommel, M.; von Seggern, F.; Friederich, P.; Reitz, C.; Dehm, S.; Kübel, C.; Wenzel, W.; Hahn, H.; Dasgupta, S.
2017. Advanced materials, 29 (4), Art. Nr. 1603858. doi:10.1002/adma.201603858
Charge Transport by Superexchange in Molecular Host-Guest Systems.
Symalla, F.; Friederich, P.; Massé, A.; Meded, V.; Coehoorn, R.; Bobbert, P.; Wenzel, W.
2016. Physical review letters, 117 (27), Art. Nr.: 276803. doi:10.1103/PhysRevLett.117.276803
Ab initio modeling of steady-state and time-dependent charge transport in hole-only α-NPD devices.
Liu, F.; Massé, A.; Friederich, P.; Symalla, F.; Nitsche, R.; Wenzel, W.; Coehoorn, R.; Bobbert, P. A.
2016. Applied physics letters, 109 (24), 243301/1–4. doi:10.1063/1.4971969
Superexchange Charge Transport in Loaded Metal Organic Frameworks.
Neumann, T.; Liu, J.; Wächter, T.; Friederich, P.; Symalla, F.; Welle, A.; Mugnaini, V.; Meded, V.; Zharnikov, M.; Wöll, C.; Wenzel, W.
2016. ACS nano, 10 (7), 7085–7093. doi:10.1021/acsnano.6b03226
Ultrarobust Thin-Film Devices from Self-Assembled Metal-Terpyridine Oligomers.
Karipidou, Z.; Branchi, B.; Sarpasan, M.; Knorr, N.; Rodin, V.; Friederich, P.; Neumann, T.; Meded, V.; Rosselli, S.; Nelles, G.; Wenzel, W.; Rampi, M. A.; Wrochem, F. von.
2016. Advanced materials, 28 (18), 3473–3480. doi:10.1002/adma.201504847
Multiscale simulation of organic electronics via smart scheduling of quantum mechanics computations.
Friederich, P.; Strunk, T.; Wenzel, W.; Kondov, I.
2016. Procedia Computer Science, 80, 1244–1254. doi:10.1016/j.procs.2016.05.495
Molecular Origin of the Charge Carrier Mobility in Small Molecule Organic Semiconductors.
Friederich, P.; Meded, V.; Poschlad, A.; Neumann, T.; Rodin, V.; Stehr, V.; Symalla, F.; Danilov, D.; Lüdemann, G.; Fink, R. F.; Kondov, I.; von Wrochem, F.; Wenzel, W.
2016. Advanced Functional Materials, 26 (31), 5757–5763. doi:10.1002/adfm.201601807
Ab initio charge-carrier mobility model for amorphous molecular semiconductors.
Massé, A.; Friederich, P.; Symalla, F.; Liu, F.; Nitsche, R.; Coehoorn, R.; Wenzel, W.; Bobbert, P. A.
2016. Physical Review B - Condensed Matter and Materials Physics, 93 (19), 195209/1–9. doi:10.1103/PhysRevB.93.195209
Influence of Meso and Nanoscale Structure on the Properties of Highly Efficient Small Molecule Solar Cells.
Moench, T.; Friederich, P.; Holzmueller, F.; Rutkowski, B.; Benduhn, J.; Strunk, T.; Koerner, C.; Vandewal, K.; Czyrska-Filemonowicz, A.; Wenzel, W.; Leo, K.
2016. Advanced Energy Materials, 6 (4), 1501280. doi:10.1002/aenm.201501280
Experimental and theoretical study of phase separation in ZnPc:C₆₀ blends.
Mönch, T.; Sherkar, T. S.; Koster, L. J. A.; Friederich, P.; Riede, M.; Formanek, P.; Koerner, C.; Vandewal, K.; Wenzel, W.; Leo, K.
2015. Organic electronics, 27, 183–191. doi:10.1016/j.orgel.2015.09.023
Generalized effective-medium model for the carrier mobility in amorphous organic semiconductors.
Rodin, V.; Symalla, F.; Meded, V.; Friederich, P.; Danilov, D.; Poschlad, A.; Nelles, G.; Wrochem, F. von; Wenzel, W.
2015. Physical Review B, 91 (15), 155203/1–8. doi:10.1103/PhysRevB.91.155203
QM/QM approach to model energy disorder in amorphous organic semiconductors.
Friederich, P.; Meded, V.; Symalla, F.; Elstner, M.; Wenzel, W.
2015. Journal of chemical theory and computation, 11 (2), 560–567. doi:10.1021/ct501023n
Charge carrier mobility and electronic properties of Al(Op)₃: Impact of excimer formation.
Magri, A.; Friederich, P.; Schäfer, B.; Fattori, V.; Sun, X.; Strunk, T.; Meded, V.; Hueso, L. E.; Wenzel, W.; Ruben, M.
2015. Beilstein journal of nanotechnology, 6 (1), 1107–1115. doi:10.3762/bjnano.6.112
Ab initio treatment of disorder effects in amorphous organic materials: toward parameter free materials simulation.
Friederich, P.; Symalla, F.; Meded, V.; Neumann, T.; Wenzel, W.
2014. Journal of chemical theory and computation, 10, 3720–3725. doi:10.1021/ct500418f


Multiskalen Modellierung elektronischer Eigenschaften von Materialien in der organischen Elektronik/ Multiscale modeling of organic electronic devices: Electronic properties of organic semiconductors