Christian Künkel
Fritz Haber Institute of the Max Planck Society(DE)
Publications by Year
Research Areas
Machine Learning in Materials Science, Catalytic Processes in Materials Science, Computational Drug Discovery Methods, Advanced Chemical Physics Studies, Catalysts for Methane Reforming
Most-Cited Works
- → Transition metal carbides as novel materials for CO2 capture, storage, and activation(2015)182 cited
- → Mapping Materials and Molecules(2020)137 cited
- → Effective and Highly Selective CO Generation from CO2 Using a Polycrystalline α-Mo2C Catalyst(2017)135 cited
- → Active discovery of organic semiconductors(2021)130 cited
- → Finding the Right Bricks for Molecular Legos: A Data Mining Approach to Organic Semiconductor Design(2019)61 cited
- → Generalized molecular solvation in non-aqueous solutions by a single parameter implicit solvation scheme(2018)60 cited
- → Size‐Extensive Molecular Machine Learning with Global Representations(2020)43 cited
- → Kernel charge equilibration: efficient and accurate prediction of molecular dipole moments with a machine-learning enhanced electron density model(2022)38 cited
- → Biogas Upgrading by Transition Metal Carbides(2017)30 cited
- → Reorganization energies of flexible organic molecules as a challenging target for machine learning enhanced virtual screening(2022)29 cited