Publications of Christian Kunkel
All genres
Journal Article (5)
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.