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 |
|
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