Publications of Christian Kunkel
All genres
Journal Article (8)
2025
Journal Article
Felsen, Frederic, Christian Kunkel, Karsten Reuter and Christoph Scheurer: Adaptive designs for the exploration of reaction kinetic phase transitions.
2024
Journal Article
Kunkel, Christian, , Frederic Felsen, , , , , , Christoph Scheurer, and Karsten Reuter: Systematic Exploration of a Multi-Promoter Catalyst Composition Space with Limited Experiments: Non-Oxidative Propane Dehydrogenation to Propylene.
Journal Article
Li, Zehua, Eylül Öztuna, Katarzyna Skorupska, , Afshan Jamshaid, , Christian Rohner, , Mauricio Prieto, Christian Kunkel, , Pierre Kube, , Alexandra Dudzinski, Frank Girgsdies, Sabine Wrabetz, Wiebke Frandsen, Raoul Blume, Patrick Zeller, , Daniel Delgado Muñoz, , Franz Schmidt, , , , , , , , Adnan Hammud, Jutta Kröhnert, Annette Trunschke, Christoph Scheurer, Thomas Schmidt, Thomas Lunkenbein, , Helmut Kuhlenbeck, Vanessa Jane Bukas, Axel Knop-Gericke, , Karsten Reuter, Beatriz Roldan Cuenya and Robert Schlögl: Rationally Designed Laterally-Condensed-Catalysts Deliver Robust Activity and Selectivity for Ethylene Production in Acetylene Hydrogenation.
2023
Journal Article
Chen, Ke, Christian Kunkel, , Karsten Reuter and Johannes Margraf: Physics-inspired machine learning of localized intensive properties.
Journal Article
Ghan, Simiam, Elias Diesen, Christian Kunkel, Karsten Reuter and : Interpreting ultrafast electron transfer on surfaces with a converged first-principles Newns–Anderson chemisorption function.
2022
Journal Article
Chen, Ke, Christian Kunkel, Karsten Reuter and Johannes Margraf: Reorganization energies of flexible organic molecules as a challenging target for machine learning enhanced virtual screening.
Journal Article
Staacke, Carsten, Simon Wengert, Christian Kunkel, , Karsten Reuter and Johannes Margraf: Kernel charge equilibration: efficient and accurate prediction of molecular dipole moments with a machine-learning enhanced electron density model.
Journal Article
Türk, Hanna, , Christian Kunkel, Johannes Margraf and Karsten Reuter: Assessing Deep Generative Models in Chemical Composition Space.
Book Chapter (1)
2021
Book Chapter
Wengert, Simon, Christian Kunkel, Johannes Margraf and Karsten Reuter: Accelerating molecular materials discovery with machine-learning.
Thesis - PhD (1)
2021
Thesis - PhD
Kunkel, Christian: Data-driven Organic Semiconductor Discovery.