Prof. Dr. Carolin Müller

Juniorprofessur für die Theorie elektronisch angeregter Zustände

Crash testing machine learning force fields for molecules, materials, and interfaces: model analysis in the TEA Challenge 2023 (2025) Poltavsky I, Charkin-Gorbulin A, Puleva M, Fonseca G, Batatia I, Browning NJ, Chmiela S, et al. Journal article Steering Photoinduced Electron Transfer in Intramolecular Photocatalysts by Peripheral Ligand Control (2024) Bagemihl B, Müller C, Shillito GE, Hartkorn M, Mengele AK, Kupfer S, Dietzek-Ivanšić B, Rau S Journal article SpaiNN: equivariant message passing for excited-state nonadiabatic molecular dynamics (2024) Mausenberger S, Müller C, Tkatchenko A, Marquetand P, González L, Westermayr J Journal article EDITORIAL: Chemical Compound Space Exploration by Multiscale High-Throughput Screening and Machine Learning (2024) Gryn’ova G, Bereau T, Müller C, Friederich P, Wade RC, Nunes-Alves A, Soares TA, Merz K Journal article New Twist on the Light-Switch Effect: Controlling the Fate of Excited States with pH in a 4-Hydroxy-thiazol-extended Ruthenium(II) Dppz Complex (2023) Müller C, Kaufmann M, Brandon MP, Cullen AA, Dietzek-Ivanšić B, Pryce MT Journal article Illuminating Photodynamics with Machine Learning Techniques (2023) Müller C Other publication type Data-driven tailoring of molecular dipole polarizability and frontier orbital energies in chemical compound space (2023) Góger S, Sandonas LM, Müller C, Tkatchenko A Journal article Outpacing conventional nicotinamide hydrogenation catalysis by a strongly communicating heterodinuclear photocatalyst (2022) Zedler L, Wintergerst P, Mengele AK, Müller C, Li C, Dietzek-Ivanšić B, Rau S Journal article Photoinduced electron transfer in triazole-bridged donor-acceptor dyads – A critical perspective (2022) Müller C, Bold S, Chavarot-Kerlidou M, Dietzek-Ivanšić B Journal article, Review article Photocatalytic Reduction of Nicotinamide Co-factor by Perylene Sensitized RhIII Complexes** (2022) Brückmann J, Müller C, Friedländer I, Mengele AK, Peneva K, Dietzek-Ivanšić B, Rau S Journal article