Publications of Christian Kunkel

Journal Article (5)

2023
Journal Article
Chen, Ke, Christian Kunkel, Bingqing Cheng, Karsten Reuter and Johannes Margraf: Physics-inspired machine learning of localized intensive properties.
MPG.PuRe
DOI
publisher-version
Journal Article
Ghan, Simiam, Elias Diesen, Christian Kunkel, Karsten Reuter and Harald Oberhofer: Interpreting ultrafast electron transfer on surfaces with a converged first-principles Newns–Anderson chemisorption function.
MPG.PuRe
DOI
pre-print
publisher-version
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.
MPG.PuRe
DOI
publisher-version
Journal Article
Staacke, Carsten, Simon Wengert, Christian Kunkel, Gábor Csányi, Karsten Reuter and Johannes Margraf: Kernel charge equilibration: efficient and accurate prediction of molecular dipole moments with a machine-learning enhanced electron density model.
MPG.PuRe
DOI
publisher-version
Journal Article
Türk, Hanna, Elisabetta Landini, Christian Kunkel, Johannes Margraf and Karsten Reuter: Assessing Deep Generative Models in Chemical Composition Space.
MPG.PuRe
DOI
publisher-version

Book Chapter (1)

2021
Book Chapter
Wengert, Simon, Christian Kunkel, Johannes Margraf and Karsten Reuter: Accelerating molecular materials discovery with machine-learning.
MPG.PuRe

Thesis - PhD (1)

2021
Thesis - PhD
Kunkel, Christian: Data-driven Organic Semiconductor Discovery.
MPG.PuRe
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