| Graph neural networks for materials science and chemistry P Reiser, M Neubert, A Eberhard, L Torresi, C Zhou, C Shao, H Metni, ... Communications Materials 3 (1), 93, 2022 | 459 | 2022 |
| Automatic discovery of photoisomerization mechanisms with nanosecond machine learning photodynamics simulations J Li, P Reiser, BR Boswell, A Eberhard, NZ Burns, P Friederich, SA Lopez Chemical science 12 (14), 5302-5314, 2021 | 81 | 2021 |
| Spectral narrowing of x-ray pulses for precision spectroscopy with nuclear resonances KP Heeg, A Kaldun, C Strohm, P Reiser, C Ott, R Subramanian, ... Science 357 (6349), 375-378, 2017 | 70 | 2017 |
| Nanocomposite of nickel oxide nanoparticles and polyethylene oxide as printable hole transport layer for organic solar cells M Ruscello, T Sarkar, A Levitsky, GM Matrone, N Droseros, S Schlisske, ... Sustainable energy & fuels 3 (6), 1418-1426, 2019 | 50 | 2019 |
| Electric‐Field‐Controlled Dopant Distribution in Organic Semiconductors L Müller, SY Rhim, V Sivanesan, D Wang, S Hietzschold, P Reiser, ... Advanced Materials 29 (30), 1701466, 2017 | 43 | 2017 |
| Analyzing dynamical disorder for charge transport in organic semiconductors via machine learning P Reiser, M Konrad, A Fediai, S Léon, W Wenzel, P Friederich Journal of chemical theory and computation 17 (6), 3750-3759, 2021 | 40 | 2021 |
| Dopant diffusion in sequentially doped poly (3-hexylthiophene) studied by infrared and photoelectron spectroscopy P Reiser, L Müller, V Sivanesan, R Lovrincic, S Barlow, SR Marder, ... The Journal of Physical Chemistry C 122 (26), 14518-14527, 2018 | 40 | 2018 |
| n-Type doping of organic semiconductors: immobilization via covalent anchoring P Reiser, FS Benneckendorf, MM Barf, L Müller, R Bäuerle, ... Chemistry of Materials 31 (11), 4213-4221, 2019 | 34 | 2019 |
| Connectivity optimized nested line graph networks for crystal structures R Ruff, P Reiser, J Stühmer, P Friederich Digital Discovery 3 (3), 594-601, 2024 | 32 | 2024 |
| The Swiss‐Army‐Knife Self‐Assembled Monolayer: Improving Electron Injection, Stability, and Wettability of Metal Electrodes with a One‐Minute Process M Alt, M Jesper, J Schinke, S Hillebrandt, P Reiser, T Rödlmeier, ... Advanced Functional Materials 26 (18), 3172-3178, 2016 | 30 | 2016 |
| Graph neural networks in TensorFlow-Keras with RaggedTensor representation (kgcnn) P Reiser, A Eberhard, P Friederich Software Impacts 9, 100095, 2021 | 26* | 2021 |
| JARVIS-Leaderboard: a large scale benchmark of materials design methods K Choudhary, D Wines, K Li, KF Garrity, V Gupta, AH Romero, JT Krogel, ... npj Computational Materials 10 (1), 93, 2024 | 22* | 2024 |
| High‐throughput synthesis and machine learning assisted design of photodegradable hydrogels M Seifermann, P Reiser, P Friederich, PA Levkin Small Methods 7 (9), 2300553, 2023 | 18 | 2023 |
| Integrated system built for small-molecule semiconductors via high-throughput approaches J Wu, J Zhang, M Hu, P Reiser, L Torresi, P Friederich, L Lahn, O Kasian, ... Journal of the American Chemical Society 145 (30), 16517-16525, 2023 | 17 | 2023 |
| Substituting density functional theory in reaction barrier calculations for hydrogen atom transfer in proteins K Riedmiller, P Reiser, E Bobkova, K Maltsev, G Gryn'ova, P Friederich, ... Chemical Science 15 (7), 2518-2527, 2024 | 12* | 2024 |
| Compensation of oxygen doping in p‐type organic field‐effect transistors utilizing immobilized n‐dopants MM Barf, FS Benneckendorf, P Reiser, R Bäuerle, W Köntges, L Müller, ... Advanced Materials Technologies 6 (2), 2000556, 2021 | 12 | 2021 |
| Inverse design workflow discovers hole-transport materials tailored for perovskite solar cells J Wu, L Torresi, MM Hu, P Reiser, J Zhang, JS Rocha-Ortiz, L Wang, Z Xie, ... Science 386 (6727), 1256-1264, 2024 | 11* | 2024 |
| Synthesis and Characterization of High‐Entropy CrMoNbTaVW Thin Films Using High‐Throughput Methods S Schweidler, H Schopmans, P Reiser, E Boltynjuk, JJ Olaya, ... Advanced Engineering Materials 25 (2), 2200870, 2023 | 10 | 2023 |
| Time-resolved sub-Ångström metrology by temporal phase interferometry near X-ray resonances of nuclei S Goerttler, K Heeg, A Kaldun, P Reiser, C Strohm, J Haber, C Ott, ... Physical review letters 123 (15), 153902, 2019 | 8 | 2019 |
| Time domain control of x-ray quantum dynamics P Reiser Ruprecht-Karls-Universität Heidelberg, 2014 | 8 | 2014 |
Pascal FriederichKarlsruhe Institute of TechnologyПідтверджена електронна адреса в kit.edu