Prof. Dr. Carolin Müller

Juniorprofessur für die Theorie elektronisch angeregter Zustände

From Handbooks to High-Throughput: Rule-Based Prediction of Electronic Absorption Maxima from SMILES with ChromoPredict (2025) Forster C, Müller C Journal article Solution ALD of (CH3NH3)(PbI3) Perovskite Thin Films Yields Functional Quality and Stability Superior to Classical Processing (2025) Koch V, Zeng X, Deckert A, Büttner P, Franz E, Ding F, Anderson MA, et al. Journal article Green-synthesized single-benzene fluorophores exhibiting room-temperature phosphorescence and solid-state fluorescence for biological and optical applications (2025) Schramm S, Müller C, Kramp M, Karothu DP, Zschommler JC, Commins P, Prestel T, et al. Journal article Noncovalent Interactions in Density Functional Theory: All the Charge Density We Do Not See (2025) Khabibrakhmanov A, Gori M, Müller C, Tkatchenko A Journal article Machine Learning for Nonadiabatic Molecular Dynamics: Best Practices and Recent Progress (2025) Müller C, Sršeň Š, Bachmair B, Crespo-Otero R, Li J, Mausenberger S, Pinheiro Jr. M, et al. Journal article, Original article 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