Pascal Friederich
Karlsruher Institut für Technologie
H-index: 32
Europe-Germany
Top articles of Pascal Friederich
Title | Journal | Author(s) | Publication Date |
|---|---|---|---|
Artificial design of organic emitters via a genetic algorithm enhanced by a deep neural network | Chemical Science | AkshatKumar Nigam Robert Pollice Pascal Friederich Alán Aspuru-Guzik | 2024 |
Design of Modified Polymer Membranes Using Machine Learning | ACS Applied Materials & Interfaces | Sarah Glass Martin Schmidt Petra Merten Amira Abdul Latif Kristina Fischer | 2024/4/11 |
Actively learning costly reward functions for reinforcement learning | Machine Learning: Science and Technology | André Eberhard Houssam Metni Georg Fahland Alexander Stroh Pascal Friederich | 2024/3/26 |
Machine learning for rapid discovery of laminar flow channel wall modifications that enhance heat transfer | APL Machine Learning | Yuri Koide Arjun J Kaithakkal Matthias Schniewind Bradley P Ladewig Alexander Stroh | 2024/3/1 |
Conditional Normalizing Flows for Active Learning of Coarse-Grained Molecular Representations | arXiv preprint arXiv:2402.01195 | Henrik Schopmans Pascal Friederich | 2024/2/2 |
Global Concept Explanations for Graphs by Contrastive Learning | arXiv preprint arXiv:2404.16532 | Jonas Teufel Pascal Friederich | 2024/4/25 |
Navigating the unknown with AI: multiobjective Bayesian optimization of non-noble acidic OER catalysts | Journal of Materials Chemistry A | Ken J Jenewein Luca Torresi Navid Haghmoradi Attila Kormányos Pascal Friederich | 2024 |
HEAT TRANSFER ENHANCEMENT IN LAMINAR CHANNEL FLOW BY MACHINE LEARNING GUIDED SHAPE OPTIMIZATION OF WALL GEOMETRY | Arjun J Kaithakkal Yuri Koide Matthias Schniewind Pascal Friederich Alexander Stroh | 2023 | |
Lattice metamaterials with mesoscale motifs: exploration of property charts by Bayesian optimization | Advanced Engineering Materials | Roman Kulagin Patrick Reiser Kyryl Truskovskyi Arnd Koeppe Yan Beygelzimer | 2023/7 |
Interpretable delta-learning of GW quasiparticle energies from GGA-DFT | Machine Learning: Science and Technology | Artem Fediai Patrick Reiser Jorge Enrique Olivares Peña Wolfgang Wenzel Pascal Friederich | 2023/9/12 |
Connectivity Optimized Nested Line Graph Networks for Crystal Structures | Robin Ruff Patrick Reiser Jan Stuehmer Pascal Friederich | 2023/11/3 | |
Functional Material Systems Enabled by Automated Data Extraction and Machine Learning | Advanced Functional Materials | Payam Kalhor Nicole Jung Stefan Bräse Christof Wöll Manuel Tsotsalas | 2023 |
Modeling Charge Transport in Organic Semiconductors Using Neural Network Based Hamiltonians and Forces | Journal of Chemical Theory and Computation | Philipp M Dohmen Mila Krämer Patrick Reiser Pascal Friederich Marcus Elstner | 2023/6/21 |
Accurate GW frontier orbital energies of 134 kilo molecules | Scientific Data | Artem Fediai Patrick Reiser Jorge Enrique Olivares Peña Pascal Friederich Wolfgang Wenzel | 2023/9/5 |
Active learning for excited states dynamics simulations to discover molecular degradation pathways | Chen Zhou Prashant Kumar Daniel Escudero Pascal Friederich | 2023/11/3 | |
Organic molecule light emitters | 2023/12/7 | ||
Mitigating Molecular Aggregation in Drug Discovery with Predictive Insights from Explainable AI | arXiv preprint arXiv:2306.02206 | Hunter Sturm Jonas Teufel Kaitlin A Isfeld Pascal Friederich Rebecca L Davis | 2023/6/3 |
Neural networks trained on synthetically generated crystals can extract structural information from ICSD powder X-ray diffractograms | Digital Discovery | Henrik Schopmans Patrick Reiser Pascal Friederich | 2023 |
High‐Throughput Synthesis and Machine Learning Assisted Design of Photodegradable Hydrogels | Small Methods | Maximilian Seifermann Patrick Reiser Pascal Friederich Pavel A Levkin | 2023/9 |
Quantifying the Intrinsic Usefulness of Attributional Explanations for Graph Neural Networks with Artificial Simulatability Studies | Jonas Teufel Luca Torresi Pascal Friederich | 2023/10/21 |
Co-Authors
