Juniorprofessur für die Theorie elektronisch angeregter Zustände

Surface Hopping Nested Instances Training Set for Excited-state Learning (2025) Curth R, Röhrkasten T, Müller C, Westermayr J Journal article, Original article Assessing the Dynamics of Hemithioindigo-Based Photoswitches Using Multistate Molecular Mechanics (2025) Harrer E, Müller C, Dube H, Zahn D Journal article From Triplet to Twist: The Photochemical E/Z‐Isomerization Pathway of the Near‐Infrared Photoswitch peri‐Anthracenethioindigo (2025) Hartinger M, Herm M, Schüßlbauer C, Köttner L, Guldi DM, Dube H, Müller C Journal article 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 Crash testing machine learning force fields for molecules, materials, and interfaces: molecular dynamics in the TEA challenge 2023 (2025) Poltavsky I, Puleva M, Charkin-Gorbulin A, 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