☰

Pascal Friederich - Publications

Affiliations: 
Karlsruhe Institute of Technology, Germany 
Area:
Machine Learning, Materials Science, Chemistry
Tree Info Similar researchers PubMed Report error

53 high-probability publications. We are testing a new system for linking publications to authors. You can help! If you notice any inaccuracies, please sign in and mark papers as correct or incorrect matches. If you identify any major omissions or other inaccuracies in the publication list, please let us know.

Year Citation  Score
2024 Nigam A, Pollice R, Friederich P, Aspuru-Guzik A. Artificial design of organic emitters a genetic algorithm enhanced by a deep neural network. Chemical Science. 15: 2618-2639. PMID 38362419 DOI: 10.1039/d3sc05306g  0.466
2023 Fediai A, Reiser P, Peña JEO, Friederich P, Wenzel W. Accurate GW frontier orbital energies of 134 kilo molecules. Scientific Data. 10: 581. PMID 37669957 DOI: 10.1038/s41597-023-02486-4  0.501
2023 Krasecki VK, Sharma A, Cavell AC, Forman C, Guo SY, Jensen ET, Smith MA, Czerwinski R, Friederich P, Hickman RJ, Gianneschi N, Aspuru-Guzik A, Cronin L, Goldsmith RH. The Role of Experimental Noise in a Hybrid Classical-Molecular Computer to Solve Combinatorial Optimization Problems. Acs Central Science. 9: 1453-1465. PMID 37521801 DOI: 10.1021/acscentsci.3c00515  0.439
2022 Krenn M, Ai Q, Barthel S, Carson N, Frei A, Frey NC, Friederich P, Gaudin T, Gayle AA, Jablonka KM, Lameiro RF, Lemm D, Lo A, Moosavi SM, Nápoles-Duarte JM, et al. SELFIES and the future of molecular string representations. Patterns (New York, N.Y.). 3: 100588. PMID 36277819 DOI: 10.1016/j.patter.2022.100588  0.636
2022 Krenn M, Pollice R, Guo SY, Aldeghi M, Cervera-Lierta A, Friederich P, Dos Passos Gomes G, Häse F, Jinich A, Nigam A, Yao Z, Aspuru-Guzik A. On scientific understanding with artificial intelligence. Nature Reviews. Physics. 1-9. PMID 36247217 DOI: 10.1038/s42254-022-00518-3  0.715
2022 Holst DP, Friederich P, Aspuru-Guzik A, Bender TP. Updated Calibrated Model for the Prediction of Molecular Frontier Orbital Energies and Its Application to Boron Subphthalocyanines. Journal of Chemical Information and Modeling. PMID 35171589 DOI: 10.1021/acs.jcim.1c01048  0.505
2022 Gensch T, Dos Passos Gomes G, Friederich P, Peters E, Gaudin T, Pollice R, Jorner K, Nigam A, Lindner-D'Addario M, Sigman MS, Aspuru-Guzik A. A Comprehensive Discovery Platform for Organophosphorus Ligands for Catalysis. Journal of the American Chemical Society. PMID 35020383 DOI: 10.1021/jacs.1c09718  0.702
2021 Kaiser S, Neumann T, Symalla F, Schlöder T, Fediai A, Friederich P, Wenzel W. De Novo Calculation of the Charge Carrier Mobility in Amorphous Small Molecule Organic Semiconductors. Frontiers in Chemistry. 9: 801589. PMID 35004618 DOI: 10.3389/fchem.2021.801589  0.552
2021 Bag S, Konrad M, Schlöder T, Friederich P, Wenzel W. Fast Generation of Machine Learning-Based Force Fields for Adsorption Energies. Journal of Chemical Theory and Computation. 17: 7195-7202. PMID 34623804 DOI: 10.1021/acs.jctc.1c00506  0.464
2021 Li J, Reiser P, Boswell BR, Eberhard A, Burns NZ, Friederich P, Lopez SA. Automatic discovery of photoisomerization mechanisms with nanosecond machine learning photodynamics simulations. Chemical Science. 12: 5302-5314. PMID 34163763 DOI: 10.1039/d0sc05610c  0.636
2021 Friederich P, Häse F, Proppe J, Aspuru-Guzik A. Machine-learned potentials for next-generation matter simulations. Nature Materials. 20: 750-761. PMID 34045696 DOI: 10.1038/s41563-020-0777-6  0.487
2021 Armleder J, Strunk T, Symalla F, Friederich P, Enrique Olivares Peña J, Neumann T, Wenzel W, Fediai A. Computing Charging and Polarization Energies of Small Organic Molecules Embedded into Amorphous Materials with Quantum Accuracy. Journal of Chemical Theory and Computation. 17: 3727-3738. PMID 34038113 DOI: 10.1021/acs.jctc.1c00036  0.534
2021 Reiser P, Konrad M, Fediai A, Léon S, Wenzel W, Friederich P. Analyzing Dynamical Disorder for Charge Transport in Organic Semiconductors via Machine Learning. Journal of Chemical Theory and Computation. 17: 3750-3759. PMID 33944566 DOI: 10.1021/acs.jctc.1c00191  0.559
2020 Friederich P, Dos Passos Gomes G, De Bin R, Aspuru-Guzik A, Balcells D. Machine learning dihydrogen activation in the chemical space surrounding Vaska's complex. Chemical Science. 11: 4584-4601. PMID 33224459 DOI: 10.1039/D0Sc00445F  0.734
2020 Schmid M, Harms K, Degitz C, Morgenstern T, Hofmann A, Friederich P, Johannes HH, Wenzel W, Kowalsky W, Brütting W. Optical and Electrical Measurements Reveal the Orientation Mechanism of Homoleptic Iridium-Carbene Complexes. Acs Applied Materials & Interfaces. 12: 51709-51718. PMID 33164497 DOI: 10.1021/acsami.0c14613  0.48
2020 Häse F, Roch LM, Friederich P, Aspuru-Guzik A. Designing and understanding light-harvesting devices with machine learning. Nature Communications. 11: 4587. PMID 32917886 DOI: 10.1038/S41467-020-17995-8  0.491
2020 Roch LM, Saikin SK, Häse F, Friederich P, Goldsmith RH, León S, Aspuru-Guzik A. From Absorption Spectra to Charge Transfer in Nanoaggregates of Oligomers with Machine Learning. Acs Nano. PMID 32338888 DOI: 10.1021/Acsnano.0C00384  0.509
2020 Symalla F, Heidrich S, Friederich P, Strunk T, Neumann T, Minami D, Jeong D, Wenzel W. Multiscale Simulation of Photoluminescence Quenching in Phosphorescent OLED Materials Advanced Theory and Simulations. 3: 1900222. DOI: 10.1002/adts.201900222  0.451
2019 Tabor DP, Chiykowski VA, Friederich P, Cao Y, Dvorak DJ, Berlinguette CP, Aspuru-Guzik A. Design rules for high mobility xanthene-based hole transport materials. Chemical Science. 10: 8360-8366. PMID 31803414 DOI: 10.1039/C9Sc01491H  0.743
2019 Fediai A, Symalla F, Friederich P, Wenzel W. Disorder compensation controls doping efficiency in organic semiconductors. Nature Communications. 10: 4547. PMID 31591405 DOI: 10.1038/s41467-019-12526-6  0.508
2019 Bag S, Friederich P, Kondov I, Wenzel W. Concentration dependent energy levels shifts in donor-acceptor mixtures due to intermolecular electrostatic interaction. Scientific Reports. 9: 12424. PMID 31455833 DOI: 10.1038/s41598-019-48877-9  0.521
2019 Friederich P, Fediai A, Kaiser S, Konrad M, Jung N, Wenzel W. Toward Design of Novel Materials for Organic Electronics. Advanced Materials (Deerfield Beach, Fla.). e1808256. PMID 31012166 DOI: 10.1002/adma.201808256  0.552
2019 de Vries X, Friederich P, Wenzel W, Coehoorn R, Bobbert PA. Triplet exciton diffusion in metalorganic phosphorescent host-guest systems from first principles Physical Review B. 99. DOI: 10.1103/PHYSREVB.99.205201  0.393
2019 Li J, Duchemin I, Roscioni OM, Friederich P, Anderson M, Da Como E, Kociok-Köhn G, Wenzel W, Zannoni C, Beljonne D, Blase X, D'Avino G. Host dependence of the electron affinity of molecular dopants Materials Horizons. 6: 107-114. DOI: 10.1039/C8Mh00921J  0.582
2019 Friederich P, Fediai A, Kaiser S, Konrad M, Jung N, Wenzel W. Organic Semiconductors: Toward Design of Novel Materials for Organic Electronics (Adv. Mater. 26/2019) Advanced Materials. 31: 1970188. DOI: 10.1002/ADMA.201970188  0.494
2018 Setzer T, Friederich P, Meded V, Wenzel W, Lennartz C, Dreuw A. Meltdown! Local Heating by Decaying Excited Host Positive Polarons Triggers Aggregation Quenching in Blue PhOLEDs. Chemphyschem : a European Journal of Chemical Physics and Physical Chemistry. 19: 2961-2966. PMID 30126022 DOI: 10.1002/Cphc.201800250  0.463
2018 Friederich P, Konrad M, Strunk T, Wenzel W. Machine learning of correlated dihedral potentials for atomistic molecular force fields. Scientific Reports. 8: 2559. PMID 29416116 DOI: 10.1038/s41598-018-21070-0  0.49
2018 Friederich P, Rodin V, von Wrochem F, Wenzel W. Built-In Potentials Induced by Molecular Order in Amorphous Organic Thin Films. Acs Applied Materials & Interfaces. 10: 1881-1887. PMID 29276831 DOI: 10.1021/acsami.7b11762  0.517
2018 Li H, Karahashi K, Friederich P, Fink K, Fukasawa M, Hirata A, Nagahata K, Tatsumi T, Wenzel W, Hamaguchi S. Enhanced etching of tin-doped indium oxide due to surface modification by hydrogen ion injection Japanese Journal of Applied Physics. 57: 6. DOI: 10.7567/Jjap.57.06Jc05  0.384
2018 de Vries X, Friederich P, Wenzel W, Coehoorn R, Bobbert PA. Full quantum treatment of charge dynamics in amorphous molecular semiconductors Physical Review B. 97. DOI: 10.1103/PHYSREVB.97.075203  0.452
2018 Symalla F, Friederich P, Kaiser S, Strunk T, Neumann T, Wenzel W. 26-4: Computer-Aided Optimization of Multilayer OLED Devices Sid Symposium Digest of Technical Papers. 49: 340-342. DOI: 10.1002/SDTP.12556  0.409
2017 Friederich P, Gómez V, Sprau C, Meded V, Strunk T, Jenne M, Magri A, Symalla F, Colsmann A, Ruben M, Wenzel W. Rational In Silico Design of an Organic Semiconductor with Improved Electron Mobility. Advanced Materials (Deerfield Beach, Fla.). PMID 28991381 DOI: 10.1002/adma.201703505  0.552
2017 Li H, Karahashi K, Friederich P, Fink K, Fukasawa M, Hirata A, Nagahata K, Tatsumi T, Wenzel W, Hamaguchi S. Effects of hydrogen ion irradiation on zinc oxide etching Journal of Vacuum Science and Technology. 35: 5. DOI: 10.1116/1.4982715  0.418
2017 Massé A, Friederich P, Symalla F, Liu F, Meded V, Coehoorn R, Wenzel W, Bobbert PA. Effects of energy correlations and superexchange on charge transport and exciton formation in amorphous molecular semiconductors: An ab initio study Physical Review B. 95. DOI: 10.1103/PHYSREVB.95.115204  0.476
2017 Schneider T, Limberg F, Yao K, Armin A, Jürgensen N, Czolk J, Ebenhoch B, Friederich P, Wenzel W, Behrends J, Krüger H, Colsmann A. p-Doping of polystyrene polymers with attached functional side-groups from solution Journal of Materials Chemistry C. 5: 770-776. DOI: 10.1039/C6TC02346K  0.393
2017 Friederich P, Coehoorn R, Wenzel W. Molecular Origin of the Anisotropic Dye Orientation in Emissive Layers of Organic Light Emitting Diodes Chemistry of Materials. 29: 9528-9535. DOI: 10.1021/ACS.CHEMMATER.7B03742  0.44
2016 Symalla F, Friederich P, Massé A, Meded V, Coehoorn R, Bobbert P, Wenzel W. Charge Transport by Superexchange in Molecular Host-Guest Systems. Physical Review Letters. 117: 276803. PMID 28084749 DOI: 10.1103/PhysRevLett.117.276803  0.5
2016 Baby TT, Rommel M, von Seggern F, Friederich P, Reitz C, Dehm S, Kübel C, Wenzel W, Hahn H, Dasgupta S. Sub-50 nm Channel Vertical Field-Effect Transistors using Conventional Ink-Jet Printing. Advanced Materials (Deerfield Beach, Fla.). PMID 27859773 DOI: 10.1002/adma.201603858  0.426
2016 Neumann T, Liu J, Wächter T, Friederich P, Symalla F, Welle A, Mugnaini V, Meded V, Zharnikov M, Wöll C, Wenzel W. Superexchange Charge Transport in Loaded Metal Organic Frameworks. Acs Nano. PMID 27359160 DOI: 10.1021/acsnano.6b03226  0.501
2016 Karipidou Z, Branchi B, Sarpasan M, Knorr N, Rodin V, Friederich P, Neumann T, Meded V, Rosselli S, Nelles G, Wenzel W, Rampi MA, von Wrochem F. Ultrarobust Thin-Film Devices from Self-Assembled Metal-Terpyridine Oligomers. Advanced Materials (Deerfield Beach, Fla.). 28: 3473-80. PMID 26970207 DOI: 10.1002/adma.201504847  0.433
2016 Massé A, Friederich P, Symalla F, Liu F, Nitsche R, Coehoorn R, Wenzel W, Bobbert PA. Ab initiocharge-carrier mobility model for amorphous molecular semiconductors Physical Review B. 93. DOI: 10.1103/PHYSREVB.93.195209  0.489
2016 Liu F, Massé A, Friederich P, Symalla F, Nitsche R, Wenzel W, Coehoorn R, Bobbert PA. Ab initio modeling of steady-state and time-dependent charge transport in hole-only α-NPD devices Applied Physics Letters. 109: 243301. DOI: 10.1063/1.4971969  0.452
2016 Friederich P, Strunk T, Wenzel W, Kondov I. Multiscale Simulation of Organic Electronics Via Smart Scheduling of Quantum Mechanics Computations Procedia Computer Science. 80: 1244-1254. DOI: 10.1016/j.procs.2016.05.495  0.475
2016 Moench T, Friederich P, Holzmueller F, Rutkowski B, Benduhn J, Strunk T, Koerner C, Vandewal K, Czyrska-Filemonowicz A, Wenzel W, Leo K. Influence of Meso and Nanoscale Structure on the Properties of Highly Efficient Small Molecule Solar Cells Advanced Energy Materials. 6. DOI: 10.1002/Aenm.201501280  0.517
2016 Karipidou Z, Branchi B, Sarpasan M, Knorr N, Rodin V, Friederich P, Neumann T, Meded V, Rosselli S, Nelles G, Wenzel W, Rampi MA, von Wrochem F. Ultrarobust Thin-Film Devices from Self-Assembled Metal-Terpyridine Oligomers Advanced Materials. DOI: 10.1002/adma.201504847  0.402
2016 Friederich P, Meded V, Poschlad A, Neumann T, Rodin V, Stehr V, Symalla F, Danilov D, Lüdemann G, Fink RF, Kondov I, von Wrochem F, Wenzel W. Molecular Origin of the Charge Carrier Mobility in Small Molecule Organic Semiconductors Advanced Functional Materials. 26: 5757-5763. DOI: 10.1002/ADFM.201601807  0.5
2015 Friederich P, Meded V, Symalla F, Elstner M, Wenzel W. QM/QM approach to model energy disorder in amorphous organic semiconductors. Journal of Chemical Theory and Computation. 11: 560-7. PMID 26580913 DOI: 10.1021/ct501023n  0.33
2015 Friederich P, Meded V, Symalla F, Elstner M, Wenzel W. QM/QM approach to model energy disorder in amorphous organic semiconductors. Journal of Chemical Theory and Computation. 11: 560-7. PMID 26580913 DOI: 10.1021/ct501023n  0.553
2015 Magri A, Friederich P, Schäfer B, Fattori V, Sun X, Strunk T, Meded V, Hueso LE, Wenzel W, Ruben M. Charge carrier mobility and electronic properties of Al(Op)3: impact of excimer formation. Beilstein Journal of Nanotechnology. 6: 1107-15. PMID 26171287 DOI: 10.3762/Bjnano.6.112  0.508
2015 Rodin V, Symalla F, Meded V, Friederich P, Danilov D, Poschlad A, Nelles G, von Wrochem F, Wenzel W. Generalized effective-medium model for the carrier mobility in amorphous organic semiconductors Physical Review B. 91. DOI: 10.1103/PHYSREVB.91.155203  0.489
2015 Mönch T, Sherkar TS, Anton Koster LJ, Friederich P, Riede M, Formanek P, Koerner C, Vandewal K, Wenzel W, Leo K. Experimental and theoretical study of phase separation in ZnPc:C<inf>60</inf> blends Organic Electronics: Physics, Materials, Applications. 27: 183-191. DOI: 10.1016/J.Orgel.2015.09.023  0.461
2014 Friederich P, Symalla F, Meded V, Neumann T, Wenzel W. Ab Initio Treatment of Disorder Effects in Amorphous Organic Materials: Toward Parameter Free Materials Simulation. Journal of Chemical Theory and Computation. 10: 3720-5. PMID 26588517 DOI: 10.1021/ct500418f  0.541
2014 Friederich P, Symalla F, Meded V, Neumann T, Wenzel W. Ab initio treatment of disorder effects in amorphous organic materials: Toward parameter free materials simulation Journal of Chemical Theory and Computation. 10: 3720-3725. DOI: 10.1021/ct500418f  0.467
Show low-probability matches.