Volker Settels
BASF (Germany)(DE)Robert Bosch (Germany)(DE)
Publications by Year
Research Areas
Machine Learning in Materials Science, Computational Drug Discovery Methods, Photochemistry and Electron Transfer Studies, Spectroscopy and Quantum Chemical Studies, Crystallization and Solubility Studies
Most-Cited Works
- → Analyzing Learned Molecular Representations for Property Prediction(2019)1,673 cited
- → Ultrafast Exciton Self-Trapping upon Geometry Deformation in Perylene-Based Molecular Aggregates(2013)138 cited
- → Understanding Ground- and Excited-State Properties of Perylene Tetracarboxylic Acid Bisimide Crystals by Means of Quantum Chemical Computations(2009)108 cited
- → Structure–property relationships for 1,7-diphenoxy-perylene bisimides in solution and in the solid state(2013)99 cited
- → Assessment of TD‐DFT‐ and TD‐HF‐based approaches for the prediction of exciton coupling parameters, potential energy curves, and electronic characters of electronically excited aggregates(2011)76 cited
- → Identification of Ultrafast Relaxation Processes As a Major Reason for Inefficient Exciton Diffusion in Perylene-Based Organic Semiconductors(2014)60 cited
- → Comparison of the electronic structure of different perylene‐based dye‐aggregates(2012)59 cited
- → Multi-scale modelling of heat transfer in polyurethane foams(2017)45 cited